data_2cok_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 2cok _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 9.0 mtmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.424 ' HD2' HD12 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 36' ' ' LEU . 1.9 mm? -67.7 -9.89 47.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.546 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -38.04 106.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t-20 81.98 54.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.428 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 48.7 mtp -155.76 128.12 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -91.24 108.5 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -96.21 139.4 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.3 tp -113.64 151.2 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.0 p -129.94 147.68 51.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 63' ' ' LYS . 1.2 mt -140.6 172.46 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 47.43 -147.8 3.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -118.86 130.56 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.22 172.7 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -94.16 177.96 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.24 162.11 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -42.5 62.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.74 -62.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -43.04 -36.29 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.51 -52.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.21 -33.84 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.37 -51.52 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.2 mmm -54.06 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 40' ' ' LEU . 42.1 mt -45.76 -28.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -33.34 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.48 -34.13 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CB ' HD22 ' A' ' 11' ' ' LEU . 2.2 mm? -75.11 -13.66 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' HA ' ' A' ' 12' ' ' SER . . . 112.02 -15.98 25.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.67 -161.3 8.25 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -161.25 129.21 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.95 138.01 42.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -128.79 169.58 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.99 -32.55 4.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -86.88 139.66 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.432 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -83.55 -43.55 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -17.16 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -116.56 45.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.08 158.43 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -107.06 -28.53 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 5.3 mt -133.59 170.13 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.6 t -145.09 120.9 10.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.333 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.424 ' CD1' HD13 ' A' ' 80' ' ' LEU . 32.6 mt -108.77 95.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.43 -172.11 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -113.5 156.26 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -44.74 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -50.87 64.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -53.71 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.425 ' N ' ' HE2' ' A' ' 64' ' ' MET . 92.9 t -46.4 -27.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.18 -38.77 50.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.62 -49.55 77.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.479 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 62.65 39.37 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -69.41 -173.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -40.33 86.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.81 -60.66 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.479 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 53.4 tpp -58.31 -28.53 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -45.99 92.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.6 mm-40 -54.3 -38.68 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 31.7 t -68.89 -40.02 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -68.31 -32.65 72.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.37 -44.33 71.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -85.47 8.72 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 42.69 64.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 56.7 mt -110.97 115.85 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.476 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 3.9 ptm180 -57.01 127.99 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.1 t -98.94 126.84 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.92 173.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 p -87.8 179.49 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -32.73 60.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.24 -25.87 4.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 24.2 t80 -56.64 -44.63 81.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 51' ' ' ILE . 34.4 mt -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.77 -21.6 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -93.02 -55.14 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -44.13 -30.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -35.58 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -123.61 61.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -168.6 125.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.6 p -94.19 40.24 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 155.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 m -72.19 141.39 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.4 mm? -44.12 -60.51 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -41.0 -49.09 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.7 mm-40 -66.74 -53.38 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 mt -47.28 -49.25 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 22.2 m-30 -54.14 -53.44 53.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.91 -27.51 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.12 -9.74 58.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -149.7 39.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.45 121.51 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.8 mt -95.59 -27.18 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.0 p -101.18 167.87 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.01 -14.41 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -99.57 -164.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.045 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CB ' ' CB ' ' A' ' 12' ' ' SER . 4.2 mttt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 -15.11 20.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' ASN . 13.1 mt -113.18 -5.8 13.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -41.52 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.8 t-20 87.45 51.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.71 131.39 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -90.48 131.34 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.0 mp -116.35 143.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.14 152.03 37.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -126.5 144.96 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.89 155.94 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.16 -163.63 3.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -97.26 144.4 27.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 12.3 mt -121.78 174.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -64.78 -44.05 91.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 178.81 5.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -95.02 143.53 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -40.69 -42.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.26 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -40.52 -42.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' HD13 ' A' ' 33' ' ' ILE . 70.5 t -73.97 -53.61 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -45.09 -41.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.54 -40.31 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.12 -53.06 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' GLY . 27.0 mt -57.74 -27.45 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.98 -52.29 6.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -47.04 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 15.2 mt -54.82 -41.06 70.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.65 -9.41 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -82.53 -157.28 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.87 126.88 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.43 136.9 42.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -130.16 169.08 15.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.65 -31.34 4.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 m -88.12 144.08 26.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' CB ' ' HG3' ' A' ' 66' ' ' GLU . . . -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -24.18 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -110.25 46.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 160.92 39.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -113.62 -27.95 7.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' CE1' ' A' ' 94' ' ' PHE . 6.1 tp -132.87 164.08 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.8 t -143.65 120.04 10.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 108.263 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.73 95.99 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -125.58 -172.64 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -111.48 153.43 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -51.15 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -52.93 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -49.5 -67.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' ' HE3' ' A' ' 64' ' ' MET . 55.3 t -43.47 -40.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -57.78 -46.77 84.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 63.46 34.42 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' MET . 63.9 t30 -67.61 170.75 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -47.52 -53.46 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 1.1 mmtp -51.84 -25.57 8.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.481 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 52.8 tpp -92.0 -34.28 14.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.4 mm-40 -63.73 -42.09 97.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG3' ' CB ' ' A' ' 44' ' ' ALA . 14.3 pt-20 -56.74 -39.82 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 42.6 t -69.92 -36.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.46 -46.67 88.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.31 2.79 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t30 46.59 63.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 25.3 mt -106.61 108.49 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.44 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 7.9 ptp85 -49.18 126.52 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 23.0 t -97.72 132.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.51 172.3 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 p -87.67 -177.98 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -36.21 57.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -49.62 -27.53 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.414 ' CE2' HD22 ' A' ' 49' ' ' LEU . 20.1 t80 -49.61 -49.65 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 54.6 mt -59.35 -38.52 80.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -63.81 -25.61 68.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -93.61 -55.26 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -52.02 -35.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 83' ' ' VAL . 8.1 t -81.6 -30.38 32.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.62 67.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.7 t -179.45 123.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.6 p -90.34 46.35 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.71 154.7 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 m -67.86 135.37 52.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.5 mm? -43.05 -63.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -44.79 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.87 -59.02 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.3 mt -44.77 -48.7 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.9 m-30 -53.17 -55.92 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -27.12 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.79 -11.0 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -148.63 44.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.584 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.92 121.58 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.5 mt -95.1 -27.36 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.1 p -101.72 165.12 11.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.0 -15.48 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.449 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 8.2 p90 -95.65 -170.85 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.4 mtmt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' CG ' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 -22.75 14.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASN . 18.0 mt -105.57 -5.74 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -39.48 94.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 12' ' ' SER . 11.2 t-20 86.86 49.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.4 mmm -144.31 124.93 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 48' ' ' SER . 3.7 mttt -88.26 107.88 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.5 mp -95.07 140.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -111.26 161.26 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.3 p -138.38 152.2 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' CD2' ' CB ' ' A' ' 63' ' ' LYS . 3.1 mt -144.66 161.12 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.08 -146.56 39.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 140.23 53.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.74 178.74 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -41.21 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -90.87 -178.18 5.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -98.59 148.5 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -44.62 -33.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -64.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.18 -34.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.02 -50.63 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -50.97 -29.77 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.47 35.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 0.8 OUTLIER -60.32 -56.24 23.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' GLY . 42.4 mt -53.49 -27.78 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.17 -52.56 6.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.38 66.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 11' ' ' LEU . 13.3 mt -57.34 -39.78 76.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.57 -12.97 3.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -79.27 -158.65 14.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.98 128.23 3.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.7 135.21 41.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.414 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.8 t -125.12 170.04 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.66 -36.59 5.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.476 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 3.1 m -80.38 168.2 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -107.27 -46.46 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.34 -19.04 53.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -107.06 40.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.31 151.66 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 33.0 t -97.28 -30.61 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 79' ' ' PHE . 5.9 tp -128.37 160.41 32.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -136.32 110.59 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 108.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 80' ' ' LEU . 19.4 mt -95.78 96.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.37 -172.37 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -113.73 157.84 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.25 -51.02 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -46.98 -59.79 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -45.76 -61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG11 ' CH2' ' A' ' 102' ' ' TRP . 26.0 t -48.94 -34.99 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.04 -28.79 61.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -76.44 -38.58 55.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.549 ' HE2' ' CH2' ' A' ' 102' ' ' TRP . 3.0 mmt 57.43 54.15 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.405 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 9.4 t30 -74.25 174.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -53.08 -43.73 66.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' CB ' ' CD2' ' A' ' 19' ' ' LEU . 14.1 mmtt -56.09 -56.83 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.9 tpp -62.48 -19.05 63.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -78.04 -29.61 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.6 -24.95 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.76 -26.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -71.72 -20.87 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.7 mm-40 -85.07 -41.49 15.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 9.73 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t30 43.85 61.09 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 46.3 mt -104.65 104.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.537 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -45.53 131.42 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.572 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 8.6 t -100.53 128.59 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.74 172.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.29 177.55 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -14.28 61.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -70.83 -17.47 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.536 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.6 t80 -65.26 -41.62 94.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' ILE . 38.3 mt -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.03 -30.91 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -87.68 -54.98 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -51.77 -28.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 32' ' ' MET . 8.7 t -91.51 -30.94 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.16 62.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.2 t -172.3 123.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.5 p -90.22 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -106.46 163.58 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 m -77.45 141.48 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.2 mm? -45.01 -59.99 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -48.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.52 -57.34 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 28.0 mt -43.84 -50.34 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 23.0 m-30 -52.05 -55.17 22.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.86 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -147.08 40.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -90.49 121.88 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 52' ' ' SER . 22.9 mt -94.41 -28.58 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 12.2 p -102.32 177.01 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.88 -14.98 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 74' ' ' VAL . 14.4 p90 -94.64 -168.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.6 mtmt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CG ' HD13 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -74.99 -40.63 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.8 mm? -80.16 -21.95 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -33.22 107.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 81.67 55.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 47.8 mtp -158.98 125.66 4.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -89.49 106.15 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 33' ' ' ILE . 4.6 mp -97.31 133.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.03 150.88 28.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 p -125.42 150.75 46.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 2.4 mt -136.68 174.51 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.19 -149.12 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 126.56 48.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 172.27 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -42.84 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -92.39 174.6 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.94 151.29 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -59.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -47.69 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.18 -40.23 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.43 -52.19 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -35.11 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.76 -46.57 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -62.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 16' ' ' ILE . 41.9 mt -49.14 -37.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.48 -30.68 61.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.495 ' HD2' ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.74 -45.99 66.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 4.6 mm? -63.77 -11.55 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.42 -11.09 36.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.97 -159.24 8.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.8 mttt -162.64 127.99 3.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.41 137.71 42.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -123.75 169.83 11.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.19 -37.15 2.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -86.56 136.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 -55.99 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -45.72 -38.03 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -96.42 45.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.14 156.71 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.9 m -105.77 -31.07 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.5 mt -136.23 169.08 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.9 t -143.87 126.59 16.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.9 mt -114.1 95.06 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -126.73 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -111.65 158.72 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -45.83 -56.35 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -41.6 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 2.4 mm-40 -38.0 -64.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 ' CH2' ' A' ' 102' ' ' TRP . 24.5 t -49.03 -40.65 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.6 mt-10 -69.24 -24.9 64.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 5.8 mmtt -78.74 -32.75 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.536 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.7 mmt 55.56 34.48 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.41 173.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.93 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 6.5 mmtt -54.14 -53.58 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 35.1 tpp -65.01 -18.98 65.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.97 -30.72 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.86 -23.58 64.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.08 -25.53 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -72.57 -19.39 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.56 11.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.04 6.86 20.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 47.95 61.89 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.3 mt -104.85 90.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -37.02 129.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.447 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 3.4 t -100.71 118.41 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.92 171.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t -88.03 -176.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.66 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -48.55 -30.12 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 19.0 t80 -55.36 -46.14 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.86 -38.61 82.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.04 -38.36 88.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.47 ' CA ' ' HB2' ' A' ' 86' ' ' SER . 0.3 OUTLIER -76.91 -56.24 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -25.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -87.98 -31.77 19.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -148.15 75.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB2' ' CA ' ' A' ' 82' ' ' ASP . 16.7 t -151.29 146.01 25.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.5 t -105.48 42.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -126.27 155.8 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -69.68 150.88 46.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -54.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -50.95 -51.55 51.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.44 -44.94 92.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 88' ' ' LYS . 54.6 mt -53.85 -48.68 69.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 49' ' ' LEU . 21.7 m-30 -53.96 -54.28 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -28.47 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.94 -6.89 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -151.35 37.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.43 121.52 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.4 mt -96.23 -22.49 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -104.09 170.08 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.53 -3.67 23.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.536 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 20.2 p90 -107.92 -163.69 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.8 mtmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.83 19.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 36' ' ' LEU . 1.3 mm? -107.35 1.66 23.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -47.82 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.9 t-20 88.23 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -154.88 131.76 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -92.88 128.41 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.2 mp -117.51 137.71 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -113.54 150.55 32.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.1 p -128.39 151.6 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 HD23 ' CB ' ' A' ' 63' ' ' LYS . 1.3 mt -140.94 175.29 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.39 -150.54 3.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -118.15 131.08 56.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.15 166.62 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -51.81 -46.48 64.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -91.41 178.13 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -92.68 153.49 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -44.28 -59.93 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -47.01 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.03 -42.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.402 ' CG1' HD12 ' A' ' 33' ' ' ILE . 77.7 t -73.99 -55.01 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -45.17 -31.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.72 -47.01 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.2 mmm -60.31 -47.15 87.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLY . 74.4 mt -59.84 -35.22 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.68 -40.48 33.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -28.88 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CB ' HD21 ' A' ' 11' ' ' LEU . 44.7 mt -83.8 7.52 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -16.94 56.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -70.19 -164.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.27 123.32 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.47 136.66 42.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -127.78 169.15 14.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.96 -41.45 2.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 85.8 m -80.54 145.73 31.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.425 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.09 -48.28 7.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 43' ' ' THR . 2.3 p-10 -58.36 -17.11 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -115.22 43.43 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.02 162.78 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -105.88 -26.35 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' A' ' 73' ' ' ARG . 13.4 tp -152.83 160.55 43.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 13.0 t -127.29 139.39 52.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 57.0 mt -126.13 95.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.31 -172.2 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 20.1 p -111.4 157.76 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -57.81 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.7 mm-40 -41.81 -68.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.65 -32.89 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.93 -37.61 70.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.51 -48.47 81.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HE3' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 63.14 38.07 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 63' ' ' LYS . 5.7 p30 -70.25 -169.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -61.53 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -44.48 -54.26 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 46.2 tpp -62.6 -38.01 88.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -54.67 -47.51 73.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.28 -38.9 55.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 30.1 t -68.16 -39.55 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -65.66 -41.27 92.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.15 -41.07 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.47 9.16 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.1 t30 40.01 54.81 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 77.8 mt -98.84 119.54 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -54.41 135.36 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.58 114.92 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.446 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 32.1 m -112.05 168.87 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.68 170.85 9.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -17.43 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.51 -28.43 69.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 9.1 t80 -59.66 -46.48 88.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.4 mt -54.92 -50.48 68.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.3 -27.57 64.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' OD1' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.85 -56.9 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -48.4 -28.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -86.66 -30.22 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -128.91 62.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -164.88 151.27 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.3 p -123.38 32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -99.14 174.3 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -78.92 144.96 34.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.9 mm? -51.51 -58.97 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -40.42 -56.16 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.02 -53.81 52.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.518 ' CD1' ' OD1' ' A' ' 82' ' ' ASP . 22.0 mt -47.42 -58.81 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 22.1 m-85 -48.04 -47.45 33.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.68 -59.25 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.94 -18.38 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 78.7 m-70 -129.43 41.78 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -94.69 123.18 46.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 53' ' ' THR . 16.9 mt -96.78 -17.34 20.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 p -109.85 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -5.56 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HE3' ' A' ' 60' ' ' MET . 20.1 p90 -109.16 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.1 mttt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.03 -15.2 20.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 12' ' ' SER . 38.0 mt -109.59 -16.13 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -31.89 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.2 t30 87.27 54.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 49.8 mtp -159.2 127.03 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -92.08 110.82 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.4 mp -95.18 136.76 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.6 tm? -114.37 161.79 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 ' N ' HD12 ' A' ' 17' ' ' LEU . 70.2 p -135.96 144.42 45.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.58 124.5 22.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.57 -164.58 37.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.3 133.95 45.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.05 165.96 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -49.5 -46.18 47.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -89.93 179.06 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -92.69 152.49 19.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -43.38 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.18 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -42.03 -35.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.11 -51.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -51.4 -27.63 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.39 -51.2 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 mmm -53.56 -56.5 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 16' ' ' ILE . 78.6 mt -49.89 -34.81 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -78.79 -44.38 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -61.85 -29.66 70.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 37.2 mt -83.31 7.98 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.95 -10.89 59.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.45 -169.84 22.78 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.67 134.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -86.11 139.45 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 3.9 t -124.86 167.14 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -97.7 -43.25 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.462 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -80.45 158.84 25.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -95.73 -44.3 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.94 -33.76 73.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -96.1 38.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 41' ' ' THR . . . -128.19 158.78 37.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -101.18 -28.27 12.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 8.5 tp -149.14 156.81 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 35.5 t -121.8 143.44 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 17' ' ' LEU . 49.6 mt -128.03 94.94 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.2 t -129.82 -172.1 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 p -109.0 161.86 14.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -54.44 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -49.43 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -53.1 -68.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 52.1 t -46.49 -25.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-10 -77.79 -41.02 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -57.51 -37.73 73.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.555 ' HE2' ' CH2' ' A' ' 102' ' ' TRP . 2.1 mmt 52.34 53.58 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.15 175.41 8.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -47.69 -41.36 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -58.19 -52.9 63.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.2 tpp -65.03 -24.56 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 -49.9 69.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 5.1 mm-40 -51.97 -34.57 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 36.1 t -75.77 -40.25 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -65.63 -42.55 91.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.02 -42.78 99.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.21 8.39 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 t30 42.1 54.9 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 85.0 mt -99.82 115.48 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -54.37 121.52 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.485 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 4.0 t -93.74 114.37 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 18.1 m -113.71 172.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -173.31 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -23.3 38.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.569 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 67.1 m-20 -52.6 -40.89 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.517 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 t80 -43.26 -42.29 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -64.26 -40.1 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.5 tp-100 -68.09 -34.8 77.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -79.47 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 90' ' ' LEU . 4.4 p -45.97 -33.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -81.09 -37.99 28.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.14 72.66 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.2 t -145.28 134.03 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 p -86.29 13.64 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.36 -165.78 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 17.0 m -116.11 152.79 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' A' ' 83' ' ' VAL . 4.2 mm? -38.09 -56.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.04 -47.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 96' ' ' ALA . 27.2 mm-40 -59.23 -66.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -41.22 -60.01 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 9.6 m-85 -41.32 -30.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 92' ' ' GLU . 8.6 mt -98.17 -35.82 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.94 2.02 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 99.5 m-70 -145.14 22.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.636 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -74.89 123.21 30.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 52' ' ' SER . 14.2 mt -102.0 -19.54 15.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -110.79 177.05 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -16.62 14.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 60' ' ' MET . 9.7 p90 -96.07 -166.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' CG ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -20.85 16.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' MET . 0.9 OUTLIER -111.48 2.56 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -40.14 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 12' ' ' SER . 17.7 t30 88.45 51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 2.6 mmm -143.89 123.35 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 107.09 15.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 14' ' ' MET . 3.9 mp -95.29 132.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.1 tm? -104.77 159.41 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -139.43 153.95 47.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 2.6 mt -144.98 173.11 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 41.18 -147.54 0.34 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -116.93 137.88 51.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.74 166.77 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -48.52 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -86.6 174.42 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' LYS . 88.9 m-20 -87.43 143.73 27.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.0 tttt -40.05 -51.59 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.3 -64.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.64 -43.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG1' HD11 ' A' ' 33' ' ' ILE . 71.4 t -72.58 -54.73 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -43.75 -43.18 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.97 73.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.97 -47.4 85.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 16' ' ' ILE . 77.4 mt -60.3 -34.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.42 -43.32 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -29.0 70.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 83' ' ' VAL . 48.2 mt -82.67 5.57 20.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.06 -14.35 60.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.18 -165.84 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -157.34 133.88 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.41 135.41 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 8.5 t -127.53 169.7 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.06 -37.78 4.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 92.9 m -78.92 167.54 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.357 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -106.77 -50.03 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.12 -17.16 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -108.18 38.59 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -140.88 151.65 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -94.95 -31.95 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 73' ' ' ARG . 5.5 tp -127.7 163.35 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -138.94 110.59 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.249 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.79 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -128.45 -172.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.5 p -110.15 154.89 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' LYS . 1.2 tppt? -48.33 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -39.17 -66.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.2 OUTLIER -39.37 -60.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -49.96 -39.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.8 mt-10 -74.26 -23.29 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -82.68 -39.68 21.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.502 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 58.54 58.78 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -84.21 164.16 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -48.59 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -51.73 -59.28 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 54.4 tpp -58.43 -37.03 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -46.41 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.6 -41.72 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.462 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 39.5 t -66.99 -37.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -69.06 -34.65 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.5 -45.74 82.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -85.22 8.48 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 42.99 58.77 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 57.1 mt -102.68 111.68 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD2' ' A' ' 94' ' ' PHE . 8.8 ptp85 -50.6 126.05 14.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 t -96.2 127.35 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.6 m -124.58 171.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.36 -177.71 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -33.62 64.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -35.82 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.404 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 17.6 t80 -45.13 -50.84 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.39 -45.51 80.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -57.1 -22.61 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -94.76 -53.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -56.59 -24.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -91.12 -19.17 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.82 64.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 41.7 t -153.35 141.49 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -110.57 45.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -129.11 -163.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -96.29 161.45 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 3.1 mm? -60.57 -47.37 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.53 -60.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.19 -40.42 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 80.6 mt -67.19 -42.71 83.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 18.4 m-30 -61.25 -53.17 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -29.02 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' GLU . . . -78.07 0.07 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 96' ' ' ALA . 96.5 m-70 -158.05 35.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.1 122.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.7 mt -96.05 -27.24 15.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.418 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 84.6 p -103.52 168.52 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.24 -12.69 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.502 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 9.1 p90 -99.93 -167.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.442 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.534 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.9 mtmt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.444 ' CG ' HD11 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 14' ' ' MET . 23.8 mt -66.76 -13.7 61.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.595 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -42.58 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 91.0 44.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -151.77 121.89 7.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -83.89 126.03 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 14' ' ' MET . 1.9 mp -107.98 136.38 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.1 tm? -112.32 161.15 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.9 p -137.04 145.65 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -131.42 161.97 31.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.91 -141.17 43.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.5 122.69 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -93.56 171.0 9.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -45.04 95.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -84.48 174.23 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -90.05 146.66 24.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.32 -48.91 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -55.34 -65.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.14 -37.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.49 -53.97 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -47.03 -33.08 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.95 -49.19 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -52.14 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.76 -34.56 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.83 -27.9 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HD2' ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.22 -50.36 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 4.2 mm? -56.14 -21.59 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 -6.05 18.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.05 -162.2 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 128.53 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.38 139.0 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 4.8 t -125.6 169.39 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.41 -43.82 2.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 6.2 m -78.69 159.53 27.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -96.8 -40.61 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -64.14 -32.89 74.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -95.58 36.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.97 161.17 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -103.69 -27.36 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 73' ' ' ARG . 12.5 tp -148.36 161.33 41.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 t -126.63 142.24 51.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -126.4 94.99 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.488 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 7.6 t -127.33 -172.13 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 67.1 p -115.22 161.24 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -48.16 -54.07 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.43 -66.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -39.18 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' HE1' ' A' ' 64' ' ' MET . 61.4 t -46.11 -56.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.3 -24.51 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.3 ptpt -78.5 -39.69 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.1 mmt 57.5 53.15 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.429 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -86.19 174.81 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -47.77 -56.01 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.32 -43.41 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 40.3 tpp -75.67 -23.23 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -68.89 -42.8 76.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 9.8 mm-40 -59.61 -29.36 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 60.8 t -82.81 -34.57 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -71.01 -46.17 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 18.5 pt-20 -56.67 -42.87 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -86.65 7.16 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 t30 44.67 53.35 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 86.6 mt -95.6 118.16 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.486 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.22 127.81 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG2' HG11 ' A' ' 67' ' ' VAL . 9.4 t -102.75 115.04 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.8 173.54 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -94.1 176.93 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -8.88 57.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -76.91 -9.73 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -74.71 -34.92 62.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.05 -53.18 33.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -60.37 -17.87 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -92.75 -43.7 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.75 -15.57 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.65 -6.1 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.38 36.54 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.0 t -151.73 140.31 20.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -112.45 30.6 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -93.55 -177.71 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -82.19 131.97 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -40.29 -51.84 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.81 -45.52 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.7 mm-40 -65.82 -41.69 91.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.8 -50.42 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 22.2 m-85 -53.25 -54.21 39.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.01 -28.03 69.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.46 -5.03 45.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.42 ' NE2' ' CG ' ' A' ' 82' ' ' ASP . 85.9 m-70 -153.25 35.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.21 121.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.5 mt -94.3 -20.19 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.7 p -102.95 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.97 6.68 15.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -123.74 -166.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.3 mtmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.55 12.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.2 mm? -106.59 8.36 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -48.66 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' SER . 3.1 t-20 84.57 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.66 123.58 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -86.67 126.79 34.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.8 mp -105.98 144.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.4 tm? -117.18 158.18 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -136.99 142.15 42.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -137.68 126.18 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.26 -142.85 16.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -127.62 147.66 50.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.08 -179.44 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 t -66.99 -41.52 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -90.12 178.52 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 79.5 m-20 -96.7 142.82 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ASN . 6.1 ttpt -39.98 -38.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.29 -39.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 32' ' ' MET . 59.4 t -76.6 -54.44 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -46.23 -24.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -84.7 -64.32 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 7.8 ptm -45.84 -42.87 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.541 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 85.2 mt -61.87 -33.91 60.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.1 mt-10 -79.67 -34.41 40.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.99 -33.1 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 83' ' ' VAL . 73.1 mt -69.53 -15.0 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' CA ' ' HD2' ' A' ' 9' ' ' LYS . . . 110.75 -9.04 29.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.68 -158.16 33.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -163.27 140.35 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -84.15 135.65 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.504 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.3 t -125.03 169.41 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.42 -48.08 1.74 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -81.29 149.12 29.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 0.774 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -85.88 -36.8 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -21.04 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.66 42.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.85 159.38 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 m -100.27 -28.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.8 tp -149.33 162.28 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 43.4 t -126.15 145.1 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.5 mt -130.23 93.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -129.07 -171.57 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.47 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 22.1 p -111.09 175.16 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -54.48 -55.52 28.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.7 OUTLIER -51.83 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.29 -32.28 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.21 -35.96 74.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.56 -47.91 76.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.491 ' HE2' ' CH2' ' A' ' 102' ' ' TRP . 1.7 mmt 63.67 35.49 11.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.7 t30 -67.39 -166.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -64.27 -57.63 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.51 -27.11 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.48 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 47.1 tpp -95.88 -20.32 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 3.1 pt-20 -72.73 -36.85 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.63 -38.51 91.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.474 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 57.7 t -67.16 -35.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -70.28 -30.06 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -73.56 -41.69 62.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.63 13.86 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 7.5 t30 39.55 49.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.474 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 81.4 mt -92.48 106.81 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.2 ptp85 -47.69 130.13 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 67' ' ' VAL . 11.0 t -102.01 116.21 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 20.9 m -112.21 173.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -97.02 177.85 5.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 -11.17 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.33 -14.5 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 14.9 t80 -72.6 -44.09 62.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 22.2 mt -63.18 -52.21 63.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -53.99 -19.62 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -96.83 -57.07 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.83 -35.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -79.84 -29.79 40.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -136.11 70.53 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 13.1 t -169.31 143.16 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 t -108.05 39.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.74 163.29 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.7 m -77.13 145.8 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.7 mm? -46.34 -58.72 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -40.71 -62.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.81 -52.08 63.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.65 -52.52 17.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 20.3 m-85 -55.29 -52.77 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 91' ' ' GLN . 8.5 mp -59.32 -45.7 90.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -13.02 46.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 68.7 m-70 -140.84 42.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -97.4 121.42 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 52' ' ' SER . 45.6 mt -95.36 -27.42 15.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.2 p -98.11 169.54 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.53 -8.92 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.491 ' CH2' ' HE2' ' A' ' 60' ' ' MET . 13.9 p90 -104.23 -163.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.8 mtmm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -33.4 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.04 0.94 52.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.521 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -45.75 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.1 t-20 83.07 53.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 89.6 mtp -153.93 124.71 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -84.96 122.81 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 14' ' ' MET . 2.5 mp -106.28 135.18 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -108.55 162.17 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -138.62 148.04 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -140.52 151.43 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.94 -157.29 51.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 119.62 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.42 173.17 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -59.81 -45.48 92.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -84.53 -178.86 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 1.4 p30 -106.37 145.36 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -39.91 -35.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -61.73 -62.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 4.1 mm-40 -46.3 -54.49 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 83.9 t -63.05 -41.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 12.9 tttt -58.26 -32.13 68.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.28 -44.83 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 1.6 mmm -60.74 -36.2 78.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 29.8 mt -74.39 -25.34 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.86 -55.73 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -46.59 63.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 83' ' ' VAL . 23.7 mt -54.51 -41.79 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.18 -10.82 3.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -84.93 -160.05 31.83 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.31 129.0 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.59 137.85 42.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 4.2 t -127.02 169.32 13.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.2 -44.08 2.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.463 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 2.7 m -76.03 165.5 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -99.9 -47.15 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.92 -35.55 75.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -91.93 37.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.52 155.95 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -103.95 -31.37 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD21 ' CE2' ' A' ' 79' ' ' PHE . 5.6 tp -130.61 162.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.3 t -137.81 123.69 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.77 95.12 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.8 t -126.84 -171.63 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.3 p -115.6 158.39 22.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -56.31 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.4 mttp -41.36 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.7 mm-40 -36.72 -65.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 ' N ' ' HE3' ' A' ' 64' ' ' MET . 21.6 t -45.79 -54.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.09 -26.5 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmtt -80.24 -29.07 38.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.505 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 1.7 mmt 52.26 33.24 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.69 173.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 11.8 mttt -53.84 -51.53 63.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -48.14 -28.45 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 38.1 tpp -95.41 -19.93 19.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 2.7 pt-20 -78.0 -33.7 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 44' ' ' ALA . 2.4 mm-40 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.08 -26.69 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -71.43 -20.5 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 2.0 mm-40 -86.85 -37.81 17.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.71 11.12 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t30 44.05 60.09 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 57.8 mt -107.82 108.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -52.59 132.49 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.575 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 12.5 t -103.37 114.83 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 m -112.27 172.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.6 p -84.29 -173.92 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -46.63 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -41.36 -33.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.473 ' CE2' HD21 ' A' ' 49' ' ' LEU . 9.6 t80 -45.16 -35.45 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.08 -56.83 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -54.2 -19.53 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -93.34 -45.67 7.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -66.09 -16.92 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.467 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.9 t -106.31 2.25 26.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.77 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 4.9 t -169.87 126.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 p -89.12 42.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.66 143.44 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 m -63.55 135.47 56.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 3.0 mm? -40.22 -62.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.93 -43.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.8 mm-40 -71.05 -54.1 12.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -47.85 -47.32 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.8 m-30 -55.06 -54.48 42.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -28.1 68.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.66 -7.21 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -150.57 37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.64 121.52 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 52' ' ' SER . 95.9 mt -95.88 -27.3 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.538 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 76.7 p -96.83 173.66 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 0.11 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.575 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 30.0 p90 -113.13 -163.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.019 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.405 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.4 mttt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.431 ' CG ' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -37.02 2.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 12' ' ' SER . 2.1 mm? -84.34 -22.63 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -31.08 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' SER . 5.5 t-20 83.23 54.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 50.6 mtp -158.4 128.3 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.26 19.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.1 mp -95.55 139.96 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.1 151.56 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 HG21 ' CG1' ' A' ' 29' ' ' VAL . 41.4 p -124.98 141.26 52.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -126.05 165.68 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.14 -158.56 5.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.35 124.56 51.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.99 172.17 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -43.32 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.39 176.6 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 2.3 p30 -105.77 152.83 22.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -40.63 -47.32 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -52.97 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 3.6 mm-40 -45.0 -55.82 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 18' ' ' THR . 90.4 t -59.97 -39.89 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LYS . 11.1 tttt -62.63 -35.6 80.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -57.71 -67.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 mt -45.71 -30.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.15 -39.89 39.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.1 OUTLIER -61.24 -49.51 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 2.2 mm? -55.14 -39.79 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.88 -8.23 4.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.81 -162.14 33.2 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.98 131.57 10.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 140.55 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -123.96 169.8 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.83 -46.59 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.419 1.074 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -77.82 142.46 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -82.87 -38.65 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -63.12 -18.59 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.26 44.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.35 160.28 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.3 m -111.49 -29.37 7.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 94' ' ' PHE . 6.5 tp -130.91 160.97 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.1 t -143.11 118.12 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CD1' HD11 ' A' ' 80' ' ' LEU . 62.6 mt -103.49 94.76 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.488 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.3 t -125.5 -172.16 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -112.97 156.69 22.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -55.17 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' GLU . 14.1 mttt -45.32 -65.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -37.4 -66.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.36 -41.88 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.1 mt-10 -68.03 -27.79 66.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.2 mmmm -71.11 -34.88 71.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.3 mmt 57.82 20.32 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 64' ' ' MET . 47.6 p-10 -58.41 167.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -43.26 -56.39 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HB3' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -43.15 -40.98 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.486 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 37.5 tpp -82.54 -26.75 32.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -67.5 -37.29 82.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 17.6 mm-40 -64.31 -30.36 71.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 84.0 t -82.79 -30.93 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -70.21 -50.97 34.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 6.4 pt-20 -53.08 -45.97 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -82.43 7.24 14.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 103' ' ' GLY . 4.0 t30 39.08 69.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 50.5 mt -112.83 115.03 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -51.63 125.67 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.419 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 16.5 t -97.71 131.77 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.6 m -125.77 177.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t -97.44 179.54 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -20.08 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -21.39 66.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 20.8 t80 -60.2 -46.91 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 51' ' ' ILE . 60.6 mt -61.65 -40.81 96.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -65.86 -18.42 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.41 -51.43 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -51.03 -34.32 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -86.35 -23.77 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.15 64.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -179.56 116.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 t -89.89 43.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -103.04 157.85 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.2 m -64.39 132.73 50.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 3.3 mm? -39.85 -58.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.59 -60.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.17 -48.27 71.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.5 mt -52.32 -49.89 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' ILE . 20.0 m-30 -56.13 -53.49 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.5 -44.57 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.21 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' PHE . 86.1 m-70 -142.14 43.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.81 122.0 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 52' ' ' SER . 35.1 mt -97.57 -18.29 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.8 p -109.37 171.76 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.93 -11.03 16.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.419 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 15.9 p90 -100.26 -166.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 18.3 Cg_endo -74.94 -16.85 20.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 12' ' ' SER . 24.4 mt -107.37 -15.66 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -33.73 105.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 86.71 54.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 56.6 mtp -157.93 144.52 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -104.58 109.27 21.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -95.24 136.09 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -122.69 148.32 45.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -121.92 149.08 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.469 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.18 135.15 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -148.8 29.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 128.39 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.53 165.9 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.23 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -89.34 174.11 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.09 149.56 23.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -51.49 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -54.01 -62.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -40.99 -40.07 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 33' ' ' ILE . 77.3 t -76.1 -54.14 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -47.38 -32.65 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.1 -54.14 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.2 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 93.6 mt -59.97 -34.97 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -45.87 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -31.33 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 80' ' ' LEU . 37.1 mt -81.63 5.13 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.38 -9.31 64.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.99 -177.08 39.06 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.98 133.94 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -86.78 137.4 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -128.48 167.64 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.83 -41.47 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.0 m -78.37 148.17 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -91.96 -41.93 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.96 -12.69 39.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -117.86 41.37 2.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.85 159.33 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -101.68 -30.2 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 12.5 tp -145.98 159.61 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 4.7 t -130.06 147.06 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 47.5 mt -127.64 98.75 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -133.29 -172.67 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -103.85 -176.51 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -34.36 49.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' LYS . 14.4 tttt -59.2 -57.26 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -49.37 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -48.66 -35.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.17 -26.16 55.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -78.53 -38.98 39.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 59.47 56.18 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -81.53 168.59 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -49.51 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -52.92 -48.99 66.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 52.7 tpp -67.11 -30.18 70.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.69 84.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.84 -37.83 64.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.458 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 35.2 t -69.61 -39.39 78.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -65.83 -42.03 91.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.73 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -85.37 8.34 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.4 58.0 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 69.8 mt -100.9 113.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.524 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -51.54 121.02 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.62 114.46 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 27.6 m -115.88 170.87 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 178.1 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 4.3 tt0 -85.97 -7.02 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.33 -29.84 64.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -49.38 -32.05 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 36' ' ' LEU . 78.7 mt -67.53 -47.96 68.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.3 -37.47 83.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 1.7 m-20 -78.82 -66.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.501 HG12 ' CE1' ' A' ' 79' ' ' PHE . 7.2 p -40.26 -38.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.2 t -75.48 -41.92 54.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -133.07 71.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' ASP . 46.9 t -149.77 144.43 26.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.4 p -91.11 30.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.43 143.42 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.4 m -69.05 159.47 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -49.87 -48.74 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -46.98 -33.05 4.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.56 -64.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 97' ' ' HIS . 3.8 mm? -44.33 -55.57 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.586 ' CE1' ' CE2' ' A' ' 79' ' ' PHE . 20.3 m-30 -43.25 -29.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.56 -38.16 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.67 2.19 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' A' ' 93' ' ' LEU . 78.5 m-70 -148.55 29.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -78.66 124.0 36.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 52' ' ' SER . 17.6 mt -103.31 -13.76 16.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -114.77 172.38 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.23 3.25 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.424 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 10.5 p90 -121.73 -168.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.465 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 11.6 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.96 -27.29 10.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.29 0.32 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -46.69 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' SER . 10.1 t-20 85.27 54.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -158.71 132.83 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -90.6 129.84 36.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.0 mp -115.77 142.12 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.74 151.44 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -123.98 142.31 51.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 1.2 mt -134.89 134.16 40.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.56 -175.04 53.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 129.78 38.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.71 170.81 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -47.17 65.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -91.93 177.69 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.2 m-20 -94.71 150.6 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 4.7 tptt -39.84 -64.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.19 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.95 -39.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 33' ' ' ILE . 86.3 t -77.87 -52.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -48.0 -31.04 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -52.26 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.436 ' HE3' ' CB ' ' A' ' 84' ' ' SER . 2.1 mmm -54.0 -50.08 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' GLY . 40.7 mt -59.41 -26.44 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.29 -56.93 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -49.07 51.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 15.7 mt -52.11 -43.02 63.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.54 -11.53 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.0 -162.09 31.83 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 132.71 8.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -76.9 137.76 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -127.61 163.99 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.3 -37.62 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -85.49 145.01 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.365 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 66' ' ' GLU . . . -83.76 -53.17 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -21.79 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.83 46.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.72 160.11 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -109.55 -30.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -132.75 157.78 44.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.8 t -136.91 115.6 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 80' ' ' LEU . 21.7 mt -102.69 94.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 3.1 t -124.72 -172.12 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -116.09 153.93 30.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -44.34 -57.33 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -40.56 -66.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -40.22 -61.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -49.44 -37.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.5 mm-40 -71.83 -27.39 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -78.4 -36.11 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 57.36 54.6 6.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.77 168.87 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.4 -43.16 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mmtp -56.74 -51.85 67.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 47.8 tpp -68.24 -15.79 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt-10 -80.08 -35.29 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 44' ' ' ALA . 2.7 mm-40 -65.54 -23.19 66.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -29.19 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -66.18 -23.2 66.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 3.4 mt-10 -84.49 -44.17 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.29 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.422 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 0.8 OUTLIER 48.33 67.58 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ARG . 18.5 mt -100.96 98.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG2' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -34.39 109.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 12.6 t -87.44 115.08 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 25.8 m -118.55 173.01 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.76 -177.14 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -31.62 40.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.69 -22.66 9.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.452 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 8.3 t80 -59.21 -46.33 88.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 36' ' ' LEU . 33.7 mt -57.54 -44.43 85.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.84 -31.74 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -85.1 -55.55 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -22.96 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.436 ' CB ' ' HE3' ' A' ' 32' ' ' MET . 22.6 t -93.85 -26.45 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.44 70.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 7.3 t -163.97 126.25 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -89.58 39.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.57 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 m -64.01 142.42 58.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -50.74 -48.84 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -40.14 61.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.16 -61.24 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 82' ' ' ASP . 93.6 mt -43.01 -46.55 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.508 ' HB3' ' CD ' ' A' ' 73' ' ' ARG . 12.0 m-30 -54.39 -54.9 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.75 -28.39 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.56 1.11 47.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 95.8 m-70 -151.91 36.23 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.667 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.52 ' CD1' ' HG2' ' A' ' 73' ' ' ARG . 1.1 tp -89.92 127.65 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 52' ' ' SER . 22.1 mt -104.34 -17.92 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 98' ' ' ILE . 20.0 p -114.23 170.79 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -28.61 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.479 ' CZ2' HG22 ' A' ' 74' ' ' VAL . 29.1 p90 -81.8 -168.91 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.517 ' HA3' ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 10.5 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -18.0 18.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 2.0 mm? -110.42 -0.9 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -44.41 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.3 t-20 88.81 52.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 62.1 mtp -155.23 124.71 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -85.83 117.37 24.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.6 mp -100.52 138.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -112.56 160.55 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 p -141.42 152.16 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 HD13 ' CE ' ' A' ' 64' ' ' MET . 3.6 mt -136.53 175.11 9.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.19 -108.54 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 134.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -97.79 -166.28 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -19.88 60.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -102.8 -178.21 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.36 152.32 20.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -45.4 -44.39 11.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.18 -64.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -40.07 -36.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 78.8 t -80.16 -54.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -47.73 -34.69 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.64 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -53.51 57.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 10.1 mt -53.48 -31.85 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.26 -44.82 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.68 69.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 83' ' ' VAL . 37.6 mt -82.01 4.67 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -14.61 62.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -76.9 -161.64 13.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -162.77 127.53 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.36 149.21 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.479 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.8 t -138.72 166.73 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.08 3.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.461 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 2.4 m -77.96 166.0 23.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -101.33 -49.07 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -57.32 -34.34 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER -91.73 37.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.71 163.65 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -109.11 -24.38 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 73' ' ' ARG . 12.0 tp -147.85 160.85 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.8 t -126.07 146.08 50.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 65.9 mt -133.55 94.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.08 -171.45 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.2 p -113.44 169.44 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -54.93 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -45.91 -51.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -53.5 -66.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.22 -27.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.68 -39.58 57.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -59.43 -50.0 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.475 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.7 mmt 62.76 37.73 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.73 -170.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.76 98.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -61.26 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.475 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.0 tpp -59.52 -17.86 35.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 mm-40 -79.94 -30.47 39.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -69.14 -23.46 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -26.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -72.06 -20.55 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mm-40 -84.63 -43.42 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.95 -2.41 57.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.85 63.13 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 24.2 mt -103.54 104.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -41.71 133.74 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.524 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 4.3 t -107.29 117.22 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.88 171.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.73 172.03 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 1.6 tm-20 -66.48 -26.81 67.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.39 -31.45 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 18.2 t80 -45.05 -51.54 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -58.49 -41.86 86.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -62.36 -19.89 63.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.68 -53.26 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -54.23 -30.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -86.66 -25.13 25.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.3 64.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.1 t -177.2 120.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 87' ' ' THR . 4.0 t -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 158.53 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -70.06 133.26 47.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.3 mm? -40.38 -59.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -39.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.8 mm-40 -75.42 -49.83 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 30.4 mt -52.2 -50.41 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.634 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.8 m-85 -52.98 -54.65 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -27.47 68.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.95 -8.92 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -150.07 37.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -87.47 121.84 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.4 mt -95.39 -27.06 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.6 p -99.95 167.0 10.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.49 -17.43 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 12.5 p90 -91.95 -164.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HG2' ' CA ' ' A' ' 37' ' ' GLY . 9.8 mtpt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.488 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 -30.05 7.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD21 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -101.44 18.08 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.528 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.65 107.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 12' ' ' SER . 16.6 t30 83.58 54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.409 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -163.81 127.74 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -88.76 128.19 35.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -108.46 139.37 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -107.12 160.87 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.2 p -142.45 145.25 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.31 175.42 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.38 -110.67 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.71 135.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -95.96 -166.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -22.44 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -97.24 177.37 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -93.62 148.81 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -50.69 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -64.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.1 -40.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 33' ' ' ILE . 70.3 t -76.65 -55.06 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -46.7 -34.45 5.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -67.98 -53.9 22.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' LYS . 17.0 mmm -52.18 -61.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 16' ' ' ILE . 79.1 mt -47.18 -37.33 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.83 -29.9 56.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -76.87 -42.56 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD12 ' CD ' ' A' ' 10' ' ' PRO . 1.9 mm? -60.72 -16.04 35.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' CA ' ' HG2' ' A' ' 9' ' ' LYS . . . 112.37 -8.34 26.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.14 -157.46 29.56 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.6 mttt -161.99 132.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 132.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.508 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.4 t -123.18 167.34 13.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -96.85 -44.7 2.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.0 m -77.73 148.75 34.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.42 -38.72 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.22 -18.1 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -111.96 39.55 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.3 159.03 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -105.8 -28.42 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 79' ' ' PHE . 6.9 tp -132.02 160.13 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.0 t -134.99 119.6 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mt -109.37 95.78 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.2 t -130.17 -172.0 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.5 p -111.06 156.49 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -56.23 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -44.43 -51.11 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -52.51 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.1 t -46.23 -27.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.86 -37.5 34.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -56.55 -52.32 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt 61.62 43.69 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.99 -173.11 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -51.29 63.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.433 ' HE2' ' CB ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -49.96 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.67 -36.89 17.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -71.48 -49.06 49.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -60.47 -34.9 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.34 -44.97 86.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -86.71 11.23 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.3 t30 39.16 61.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 49.9 mt -105.09 118.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 7.9 ptp85 -55.35 121.33 8.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 20.8 t -93.12 128.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 29.0 m -125.1 171.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -90.8 168.0 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.52 -22.75 66.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.8 m-20 -57.81 -46.37 84.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE2' HD23 ' A' ' 49' ' ' LEU . 12.0 t80 -38.15 -39.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.2 -50.93 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . 4.7 tp60 -58.49 -25.88 62.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -86.95 -56.42 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.51 -36.84 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -78.05 -33.03 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.0 67.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.9 t -175.24 125.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -95.23 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -108.01 150.33 27.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 135.62 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.7 mm? -39.98 -62.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.25 -54.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -56.09 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.7 mt -43.26 -48.17 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 19.8 m-30 -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 95' ' ' LEU . 1.5 mm? -57.82 -29.26 64.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.11 -20.08 57.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 67.7 m-70 -140.46 47.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.38 121.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 52' ' ' SER . 35.7 mt -96.63 -24.17 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.496 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.3 p -104.93 166.44 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.38 1.75 33.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.512 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 13.1 p90 -111.94 -164.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.52 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 2.6 mtmp? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.474 ' CG ' HG23 ' A' ' 83' ' ' VAL . 18.5 Cg_endo -74.94 -32.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' MET . 46.3 mt -85.7 -14.9 44.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -39.72 96.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 12' ' ' SER . 8.1 t-20 93.37 48.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -159.52 131.03 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -91.93 129.97 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.6 mp -113.55 127.28 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 1.1 tm? -103.31 160.7 14.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -138.81 148.71 44.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -132.34 175.45 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.32 -134.08 1.75 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 139.35 40.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 mt -107.92 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -85.28 172.57 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -86.86 147.49 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -50.12 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -63.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -39.18 -42.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG1' HD13 ' A' ' 33' ' ' ILE . 65.0 t -74.81 -56.14 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -43.63 -33.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -48.7 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.88 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 63.4 mt -70.64 -29.16 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -82.67 -48.95 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -35.62 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.61 -3.47 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.32 -9.56 71.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -77.73 -167.56 29.74 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -155.18 123.34 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.64 139.62 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' CG2' HD21 ' A' ' 17' ' ' LEU . 5.3 t -123.02 169.94 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.11 -47.75 2.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.4 m -79.96 160.53 25.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.382 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -93.34 -43.67 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -14.91 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 42.34 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -136.75 152.96 50.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -94.05 -32.91 13.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -143.99 154.5 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.3 t -115.79 136.48 53.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.6 mt -122.62 95.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -133.73 -171.63 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.09 -55.12 34.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 6.7 tptm -39.48 -66.63 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.4 tm-20 -39.46 -62.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -49.11 -38.39 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.8 mt-10 -72.67 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -83.37 -37.38 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.545 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 2.5 mmt 58.78 56.47 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -72.84 172.39 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -49.47 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.28 -49.38 67.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.498 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 48.7 tpp -72.19 -15.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 2.4 mt-10 -84.12 -12.57 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.45 -31.1 18.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -79.98 -31.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -65.36 -27.89 68.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -78.65 -39.16 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 8.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 48.07 49.82 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.78 109.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.59 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.0 ptp180 -54.54 124.96 17.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.408 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 3.9 t -92.52 115.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 15.1 m -116.86 172.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -91.71 -173.86 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.61 -29.22 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -46.93 -44.13 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.0 t80 -43.98 -36.86 2.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 49.8 mt -67.46 -44.41 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.5 tp60 -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -89.23 -58.06 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 HG23 ' CG ' ' A' ' 10' ' ' PRO . 5.5 p -49.86 -27.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -90.16 -35.38 15.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.04 64.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 29.7 t -140.19 159.23 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.9 p -119.64 15.84 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -114.5 -170.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.3 m -98.44 148.47 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -39.93 -50.17 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.77 -39.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.9 mm-40 -69.27 -68.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -38.41 -53.67 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 9.4 m-85 -47.66 -56.77 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -78.21 1.71 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 79' ' ' PHE . 79.7 m-70 -150.39 29.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -83.58 122.69 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 52' ' ' SER . 33.8 mt -99.85 -22.56 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.441 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.0 p -106.9 174.09 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.93 -12.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.545 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 13.3 p90 -101.99 -165.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 9.1 mtmt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.98 19.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.6 mt -104.75 -19.0 14.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -34.61 106.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.8 t30 83.85 54.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 51.4 mtp -159.24 125.78 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -88.81 110.52 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.7 mp -95.91 138.41 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 41' ' ' THR . 2.5 tm? -115.22 159.18 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.463 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 13.9 p -132.62 126.85 33.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -113.11 117.44 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -112.72 4.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -176.7 138.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.71 -171.91 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -18.35 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -103.28 -177.46 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -98.56 151.21 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -50.25 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.72 -65.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.1 -37.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -78.76 -55.05 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -48.71 -31.67 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.57 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -54.73 38.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 14.2 mt -52.04 -32.1 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.63 -50.21 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.14 63.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD11 ' CG1' ' A' ' 83' ' ' VAL . 42.9 mt -81.65 4.68 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.83 -16.55 56.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -71.48 -163.63 5.85 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.23 131.12 5.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 33' ' ' ILE . 5.9 tt -80.87 153.97 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.505 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 3.1 t -138.26 168.11 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -96.4 -40.39 3.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -83.37 163.41 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.12 -54.73 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -51.83 -28.95 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -99.3 41.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -139.74 150.98 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 m -97.93 -22.48 16.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mt -136.58 168.59 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.46 124.94 13.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mt -111.42 95.66 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 5.5 t -128.13 -171.63 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -114.33 173.13 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -62.81 -43.56 98.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -53.67 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -51.3 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.35 -22.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.47 -31.02 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -73.05 -37.05 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.475 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 mmt 54.08 53.09 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 22.3 t30 -86.61 165.46 16.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -39.65 -39.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mmmt -55.02 -62.36 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 31.7 tpp -57.87 -21.81 44.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.72 -28.31 58.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 2.1 mm-40 -70.81 -25.16 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -27.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -74.77 -19.99 59.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 7.8 pt-20 -81.7 -45.99 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -85.13 10.68 11.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 t30 44.2 65.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 28.7 mt -108.43 101.57 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.439 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.6 ptp85 -42.5 127.69 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.576 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 4.5 t -101.33 126.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.87 174.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.53 175.5 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -68.38 -31.7 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 m-20 -50.74 -40.13 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.4 t80 -37.01 -54.06 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.2 -48.13 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -57.76 -21.19 40.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -94.08 -58.22 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -48.04 -36.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -79.06 -32.57 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -131.49 69.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -178.92 115.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -87.71 46.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.39 161.72 13.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -63.55 137.59 58.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -56.64 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 7.0 mp0 -50.44 -49.33 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.32 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.0 mt -47.09 -48.94 22.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 98' ' ' ILE . 20.5 m-30 -55.38 -53.15 59.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.12 -34.25 74.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.77 -8.31 54.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -150.05 40.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.59 122.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 80.3 mt -97.6 -18.1 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.521 ' OG ' ' CD2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -108.08 165.29 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -4.45 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.576 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 27.6 p90 -104.16 -163.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 11.0 mtmt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -20.95 16.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.8 mm? -109.16 2.32 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -45.23 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.2 t30 87.32 54.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 38.3 mtp -154.42 129.03 9.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -88.11 111.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 33' ' ' ILE . 4.1 mp -97.01 134.43 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.6 tm? -113.9 158.85 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -138.25 134.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 -98.41 1.09 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? 176.99 139.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.647 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -91.88 -164.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -74.62 -26.34 59.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -97.52 -178.36 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -92.34 148.39 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -41.23 -60.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.39 -64.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.98 -44.24 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' CG1' HD12 ' A' ' 33' ' ' ILE . 59.6 t -73.16 -56.33 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -43.76 -34.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.95 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.444 ' HE3' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -53.15 -50.3 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 16' ' ' ILE . 74.6 mt -55.37 -34.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.96 -46.53 18.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -29.68 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 83' ' ' VAL . 54.1 mt -79.77 1.69 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 -14.63 64.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.13 -165.4 14.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.7 mmtp -158.8 123.93 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.28 137.98 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.512 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 3.6 t -125.89 169.78 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -96.76 -46.63 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.8 m -73.33 169.18 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.62 -48.8 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -61.93 -14.48 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.17 37.98 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -132.06 153.1 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -91.4 -31.48 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 17.8 tp -145.3 161.33 39.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 53.3 t -122.88 139.9 53.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 17' ' ' LEU . 63.5 mt -129.26 93.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 3.5 t -127.87 -171.51 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.473 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 32.5 p -111.79 159.08 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -45.7 -58.27 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -62.62 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.6 mm-40 -42.43 -66.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' MET . 64.6 t -44.69 -44.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.83 -38.05 74.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.47 -48.1 76.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.562 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 1.2 mmt 64.77 35.28 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.11 -176.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.7 -45.86 88.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 6.1 mttt -53.95 -31.07 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.491 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 32.1 tpp -92.3 -12.18 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.9 pt-20 -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.82 -26.25 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -27.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -70.66 -20.47 62.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.6 mm-40 -87.83 -37.76 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.65 8.73 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 46.26 52.48 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.95 114.17 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -58.28 133.48 55.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.574 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 12.0 t -102.51 123.12 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 51' ' ' ILE . 22.9 m -119.4 173.26 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.93 174.13 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 22' ' ' LEU . 3.3 tm-20 -61.82 -39.87 93.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.3 m-20 -41.35 -41.9 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.404 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 34.8 t80 -38.07 -48.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.56 -46.1 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -58.8 -31.01 68.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -85.43 -60.52 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -44.94 -33.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' HE3' ' A' ' 32' ' ' MET . 6.7 p -80.67 -38.58 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -131.44 70.56 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -170.52 121.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -87.15 43.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -110.17 143.33 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 92' ' ' GLU . 2.5 m -65.16 142.46 58.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.9 mm? -42.25 -60.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -43.18 -38.06 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.2 mm-40 -77.46 -51.05 11.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 22.8 mt -51.04 -49.31 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.3 m-85 -53.08 -54.3 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.37 -28.99 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.2 -4.66 45.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -152.05 35.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.589 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.96 121.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 52' ' ' SER . 28.1 mt -95.08 -26.46 16.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 78.1 p -98.91 170.87 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 2.51 28.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.574 ' CZ2' HG22 ' A' ' 74' ' ' VAL . 16.4 p90 -115.15 -166.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 1.5 mtmt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.469 ' CG ' HD22 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' MET . 2.5 mm? -91.36 6.62 44.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.538 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -47.73 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.1 t-20 82.28 54.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -154.41 131.21 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -89.39 127.73 35.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -115.91 136.79 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' ILE . 1.2 tp -115.86 151.61 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 40.9 p -122.94 140.61 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -129.25 131.78 47.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -166.1 51.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -99.66 133.07 44.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.07 165.98 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -49.6 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -86.87 176.47 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -94.12 154.8 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -42.87 -60.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -47.12 -64.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.07 -39.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' CG1' HD13 ' A' ' 33' ' ' ILE . 70.4 t -77.22 -54.97 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -46.89 -28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.98 -51.97 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.41 44.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG21 ' CD1' ' A' ' 16' ' ' ILE . 29.5 mt -55.52 -25.67 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.06 -59.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -49.46 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 10.5 mt -49.83 -43.28 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.32 -10.45 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.83 -158.47 32.12 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.8 mttt -160.77 134.65 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -74.31 145.82 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 47' ' ' ALA . 9.4 t -132.08 166.93 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.9 -38.88 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -86.33 146.23 26.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.444 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -84.77 -45.44 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -14.54 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -119.71 44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' CB ' HG23 ' A' ' 41' ' ' THR . . . -134.79 154.93 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -97.11 -29.6 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 75' ' ' VAL . 11.7 tp -150.59 158.06 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 4.7 t -124.13 145.08 49.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.0 mt -128.25 95.13 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.1 t -127.25 -172.01 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 p -108.1 161.51 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -40.77 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -53.84 -51.78 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -48.53 -36.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.98 -26.35 56.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -79.71 -30.85 41.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.5 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.4 mmt 51.6 58.44 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -83.16 167.82 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.42 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 19' ' ' LEU . 21.2 mmtt -52.33 -49.2 64.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.1 tpp -66.46 -31.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -50.7 72.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.83 -35.75 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 40.2 t -75.05 -38.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -66.48 -40.22 89.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.69 -41.95 91.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -86.49 10.48 15.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 11.2 t30 40.06 54.37 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.472 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 86.5 mt -98.76 111.29 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -50.53 127.61 18.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' HG11 ' A' ' 67' ' ' VAL . 3.9 t -100.41 114.93 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.476 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 31.0 m -112.5 168.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.7 173.13 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.94 60.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' GLN . 44.6 m-20 -52.85 -38.16 61.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 59.3 t80 -42.84 -52.81 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 77.2 mt -49.15 -37.56 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -76.19 -25.28 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -82.57 -54.95 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.675 ' CG1' ' CE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -54.48 -41.72 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.409 ' CB ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.83 -16.58 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 81' ' ' GLN . . . -136.22 59.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.9 t 179.68 134.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.5 p -105.66 35.55 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.47 171.94 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 m -73.48 141.6 46.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 4.0 mm? -52.18 -58.38 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.84 -49.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' LEU . 6.4 mm-40 -59.23 -65.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 68.1 mt -38.18 -54.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 13.4 m-85 -51.67 -48.61 63.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -65.68 -57.85 7.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -15.46 9.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 95.2 m-70 -128.89 35.54 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -90.45 123.52 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 79.4 mt -99.14 -21.56 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.81 173.14 6.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 -13.56 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.5 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 12.0 p90 -99.32 -164.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 1.7 mttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.489 ' CB ' HD23 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -75.02 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 36' ' ' LEU . 2.7 mm? -79.95 -1.55 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.559 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -49.17 108.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' SER . 33.5 t30 85.12 55.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -165.46 128.61 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.46 121.15 30.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.7 mp -105.34 138.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -108.48 163.14 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.0 p -140.81 148.52 40.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -143.76 145.47 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.56 -148.7 44.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -122.81 125.56 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.53 168.56 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.3 t -49.6 -46.55 49.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -89.23 175.98 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -89.15 150.93 22.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -41.07 -61.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -45.6 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.3 -40.87 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.89 -53.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -48.6 -30.07 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.1 mmm -55.63 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.463 ' CD1' HD12 ' A' ' 40' ' ' LEU . 54.4 mt -40.53 -30.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' MET . 6.8 mt-10 -82.33 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -57.63 -33.87 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CB ' HD22 ' A' ' 11' ' ' LEU . 1.7 mm? -77.44 -9.67 59.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' C ' ' HA ' ' A' ' 12' ' ' SER . . . 108.85 -22.94 24.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -65.7 -162.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -161.22 130.23 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.35 136.33 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.513 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.1 t -123.7 170.16 10.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.75 -40.57 2.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 46' ' ' LYS . 3.3 m -80.99 145.27 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -87.37 -45.38 10.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.33 -11.05 48.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' THR . 3.2 tptp -115.93 37.94 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.78 156.23 48.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -93.7 -30.13 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 12.0 tp -144.68 159.43 42.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 39.8 t -126.36 135.4 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 108.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.2 mt -119.38 94.13 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -126.46 -171.31 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.7 p -111.05 170.41 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.51 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -46.83 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.1 mm-40 -39.93 -63.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.5 t -48.32 -42.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.5 -25.67 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.32 -30.96 30.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.489 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.9 mmt 51.99 56.38 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' MET . 22.8 t-20 -83.91 167.17 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -44.46 -55.74 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 15.7 mmmt -46.08 -33.27 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.489 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 50.5 tpp -88.14 -24.84 23.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.5 pt-20 -67.92 -37.99 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 69' ' ' GLU . 4.9 mm-40 -65.44 -29.93 70.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.488 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 91.4 t -81.28 -30.92 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -73.01 -46.47 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 12.6 pt-20 -55.91 -44.61 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -82.67 5.24 21.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 5.9 t30 46.14 55.58 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.488 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 97.8 mt -99.04 111.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.4 ptp180 -48.35 125.1 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.511 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 5.2 t -99.25 114.36 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 15.5 m -114.25 176.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -173.8 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.61 59.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -42.11 -49.48 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 5.1 t80 -39.17 -37.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.38 -51.89 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ASP . 32.6 tp60 -58.06 -25.08 60.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -84.87 -58.5 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -46.32 -35.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 p -79.45 -37.08 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.84 71.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.3 t -149.89 132.13 15.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.6 p -91.78 8.85 35.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.52 -165.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' GLU . 48.8 m -111.59 150.85 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 10' ' ' PRO . 3.9 mm? -39.85 -56.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.0 -40.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.6 mm-40 -67.46 -68.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' CD1' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -36.13 -54.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 7.6 m-85 -47.07 -57.49 5.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -34.62 75.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.95 1.02 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' PHE . 87.0 m-70 -151.71 30.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -83.72 122.66 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 52' ' ' SER . 81.9 mt -100.4 -18.45 16.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -112.97 162.05 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -19.86 21.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 10.6 p90 -91.28 -162.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -177.4 91.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -172.58 147.36 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.93 88.09 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -160.96 167.59 26.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m 63.07 105.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.59 -164.49 24.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.21 93.75 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 9.0 mtmt -131.89 92.84 28.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' HD2' HD12 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 36' ' ' LEU . 1.9 mm? -67.7 -9.89 47.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.546 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -38.04 106.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t-20 81.98 54.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.428 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 48.7 mtp -155.76 128.12 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -91.24 108.5 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -96.21 139.4 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.3 tp -113.64 151.2 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.0 p -129.94 147.68 51.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 63' ' ' LYS . 1.2 mt -140.6 172.46 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 47.43 -147.8 3.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -118.86 130.56 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.22 172.7 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -94.16 177.96 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.24 162.11 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -42.5 62.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.74 -62.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -43.04 -36.29 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -80.51 -52.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.21 -33.84 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.37 -51.52 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.2 mmm -54.06 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 40' ' ' LEU . 42.1 mt -45.76 -28.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -33.34 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.48 -34.13 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CB ' HD22 ' A' ' 11' ' ' LEU . 2.2 mm? -75.11 -13.66 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' C ' ' HA ' ' A' ' 12' ' ' SER . . . 112.02 -15.98 25.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.67 -161.3 8.25 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -161.25 129.21 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.95 138.01 42.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -128.79 169.58 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.99 -32.55 4.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.6 m -86.88 139.66 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.432 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -83.55 -43.55 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -17.16 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -116.56 45.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.08 158.43 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -107.06 -28.53 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD1' ' CE1' ' A' ' 94' ' ' PHE . 5.3 mt -133.59 170.13 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.6 t -145.09 120.9 10.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.333 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.424 ' CD1' HD13 ' A' ' 80' ' ' LEU . 32.6 mt -108.77 95.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.43 -172.11 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -113.5 156.26 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -44.74 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -50.87 64.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -53.71 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.425 ' N ' ' HE2' ' A' ' 64' ' ' MET . 92.9 t -46.4 -27.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.18 -38.77 50.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.62 -49.55 77.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.479 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 62.65 39.37 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -69.41 -173.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -40.33 86.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.81 -60.66 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.479 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 53.4 tpp -58.31 -28.53 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -45.99 92.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.6 mm-40 -54.3 -38.68 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 31.7 t -68.89 -40.02 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -68.31 -32.65 72.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.37 -44.33 71.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -85.47 8.72 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 42.69 64.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 56.7 mt -110.97 115.85 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.476 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 3.9 ptm180 -57.01 127.99 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.1 t -98.94 126.84 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.92 173.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 p -87.8 179.49 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -32.73 60.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.24 -25.87 4.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 24.2 t80 -56.64 -44.63 81.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 51' ' ' ILE . 34.4 mt -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.77 -21.6 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -93.02 -55.14 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -44.13 -30.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -35.58 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -123.61 61.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -168.6 125.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.6 p -94.19 40.24 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 155.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 m -72.19 141.39 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.4 mm? -44.12 -60.51 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -41.0 -49.09 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.7 mm-40 -66.74 -53.38 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 mt -47.28 -49.25 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 22.2 m-30 -54.14 -53.44 53.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.91 -27.51 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.12 -9.74 58.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -149.7 39.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.45 121.51 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.8 mt -95.59 -27.18 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.0 p -101.18 167.87 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.01 -14.41 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -99.57 -164.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.045 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 92.58 63.42 1.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.79 -174.5 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 106' ' ' VAL . 8.5 mt-10 -50.43 117.93 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 107' ' ' LYS . 3.4 t -159.58 158.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -40.78 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.85 173.97 6.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.14 -146.3 18.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.81 133.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.1 p -151.41 164.62 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -71.25 122.24 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 p -134.31 127.71 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.87 88.76 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -114.43 145.91 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 t -155.9 -60.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.07 -154.9 25.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 63.53 -175.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CB ' ' CB ' ' A' ' 12' ' ' SER . 4.2 mttt 58.12 93.57 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 -15.11 20.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' ASN . 13.1 mt -113.18 -5.8 13.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -41.52 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.8 t-20 87.45 51.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.71 131.39 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -90.48 131.34 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.0 mp -116.35 143.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.14 152.03 37.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -126.5 144.96 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.89 155.94 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.16 -163.63 3.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -97.26 144.4 27.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 12.3 mt -121.78 174.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -64.78 -44.05 91.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 178.81 5.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -95.02 143.53 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -40.69 -42.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.26 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -40.52 -42.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' HD13 ' A' ' 33' ' ' ILE . 70.5 t -73.97 -53.61 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -45.09 -41.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.54 -40.31 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.12 -53.06 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' GLY . 27.0 mt -57.74 -27.45 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.98 -52.29 6.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -47.04 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 15.2 mt -54.82 -41.06 70.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.65 -9.41 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -82.53 -157.28 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.87 126.88 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.43 136.9 42.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -130.16 169.08 15.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.65 -31.34 4.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.5 m -88.12 144.08 26.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' CB ' ' HG3' ' A' ' 66' ' ' GLU . . . -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -24.18 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -110.25 46.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 160.92 39.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -113.62 -27.95 7.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD23 ' CE1' ' A' ' 94' ' ' PHE . 6.1 tp -132.87 164.08 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.8 t -143.65 120.04 10.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 108.263 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.73 95.99 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -125.58 -172.64 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -111.48 153.43 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -51.15 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -52.93 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -49.5 -67.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' ' HE3' ' A' ' 64' ' ' MET . 55.3 t -43.47 -40.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -57.78 -46.77 84.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 63.46 34.42 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' MET . 63.9 t30 -67.61 170.75 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -47.52 -53.46 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 1.1 mmtp -51.84 -25.57 8.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.481 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 52.8 tpp -92.0 -34.28 14.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.4 mm-40 -63.73 -42.09 97.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG3' ' CB ' ' A' ' 44' ' ' ALA . 14.3 pt-20 -56.74 -39.82 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 42.6 t -69.92 -36.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.46 -46.67 88.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.31 2.79 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t30 46.59 63.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 25.3 mt -106.61 108.49 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.44 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 7.9 ptp85 -49.18 126.52 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 23.0 t -97.72 132.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.51 172.3 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 p -87.67 -177.98 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -36.21 57.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -49.62 -27.53 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.414 ' CE2' HD22 ' A' ' 49' ' ' LEU . 20.1 t80 -49.61 -49.65 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 54.6 mt -59.35 -38.52 80.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -63.81 -25.61 68.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -93.61 -55.26 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -52.02 -35.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 83' ' ' VAL . 8.1 t -81.6 -30.38 32.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.62 67.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.7 t -179.45 123.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.6 p -90.34 46.35 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.71 154.7 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 m -67.86 135.37 52.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.5 mm? -43.05 -63.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -44.79 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.87 -59.02 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.3 mt -44.77 -48.7 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.9 m-30 -53.17 -55.92 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -27.12 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.79 -11.0 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -148.63 44.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.584 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.92 121.58 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.5 mt -95.1 -27.36 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.1 p -101.72 165.12 11.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.0 -15.48 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.449 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 8.2 p90 -95.65 -170.85 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 108.012 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' ALA . . . 97.48 55.32 1.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 103' ' ' GLY . . . 82.98 137.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 163.38 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -172.6 72.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 142.71 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t -93.89 140.89 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.1 -146.1 4.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.54 22.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.0 t -123.59 88.97 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -59.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.23 145.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -102.31 170.02 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.27 -178.88 48.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 p -170.89 110.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.34 160.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.08 63.34 0.57 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -178.04 67.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.4 mtmt -121.12 93.2 48.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' CG ' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 -22.75 14.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASN . 18.0 mt -105.57 -5.74 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -39.48 94.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 12' ' ' SER . 11.2 t-20 86.86 49.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.4 mmm -144.31 124.93 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 48' ' ' SER . 3.7 mttt -88.26 107.88 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.5 mp -95.07 140.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -111.26 161.26 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.3 p -138.38 152.2 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' CD2' ' CB ' ' A' ' 63' ' ' LYS . 3.1 mt -144.66 161.12 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.08 -146.56 39.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 140.23 53.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.74 178.74 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -41.21 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -90.87 -178.18 5.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -98.59 148.5 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -44.62 -33.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -64.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.18 -34.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.02 -50.63 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -50.97 -29.77 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.47 35.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 0.8 OUTLIER -60.32 -56.24 23.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' GLY . 42.4 mt -53.49 -27.78 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.17 -52.56 6.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.38 66.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 11' ' ' LEU . 13.3 mt -57.34 -39.78 76.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.57 -12.97 3.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -79.27 -158.65 14.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.98 128.23 3.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.7 135.21 41.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.414 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.8 t -125.12 170.04 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.66 -36.59 5.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.476 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 3.1 m -80.38 168.2 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -107.27 -46.46 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.34 -19.04 53.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -107.06 40.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.31 151.66 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 33.0 t -97.28 -30.61 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 79' ' ' PHE . 5.9 tp -128.37 160.41 32.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -136.32 110.59 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 108.322 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 80' ' ' LEU . 19.4 mt -95.78 96.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.37 -172.37 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -113.73 157.84 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.25 -51.02 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -46.98 -59.79 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -45.76 -61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG11 ' CH2' ' A' ' 102' ' ' TRP . 26.0 t -48.94 -34.99 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.04 -28.79 61.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -76.44 -38.58 55.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.549 ' HE2' ' CH2' ' A' ' 102' ' ' TRP . 3.0 mmt 57.43 54.15 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.405 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 9.4 t30 -74.25 174.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -53.08 -43.73 66.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' CB ' ' CD2' ' A' ' 19' ' ' LEU . 14.1 mmtt -56.09 -56.83 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.9 tpp -62.48 -19.05 63.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -78.04 -29.61 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.6 -24.95 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.76 -26.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -71.72 -20.87 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.7 mm-40 -85.07 -41.49 15.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 9.73 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 11.0 t30 43.85 61.09 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 46.3 mt -104.65 104.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.537 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -45.53 131.42 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.572 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 8.6 t -100.53 128.59 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.74 172.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.29 177.55 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -14.28 61.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -70.83 -17.47 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.536 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.6 t80 -65.26 -41.62 94.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' ILE . 38.3 mt -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.03 -30.91 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -87.68 -54.98 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -51.77 -28.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 32' ' ' MET . 8.7 t -91.51 -30.94 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.16 62.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.2 t -172.3 123.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.5 p -90.22 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -106.46 163.58 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 m -77.45 141.48 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.2 mm? -45.01 -59.99 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -48.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.52 -57.34 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 28.0 mt -43.84 -50.34 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 23.0 m-30 -52.05 -55.17 22.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.86 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -147.08 40.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -90.49 121.88 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 52' ' ' SER . 22.9 mt -94.41 -28.58 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 12.2 p -102.32 177.01 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.88 -14.98 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 74' ' ' VAL . 14.4 p90 -94.64 -168.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 100.63 63.59 0.79 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.552 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -145.08 -170.16 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -47.69 145.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 p -172.58 179.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -91.33 74.82 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.0 p -118.21 -58.22 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.97 163.76 29.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 p -40.32 134.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.94 166.86 21.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -56.68 135.38 55.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -164.85 136.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.68 -135.21 1.97 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 p 57.65 169.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.975 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -159.43 165.47 33.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.14 136.45 2.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.51 81.41 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.6 mtmt -126.73 91.34 47.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CG ' HD13 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -74.99 -40.63 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.8 mm? -80.16 -21.95 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -33.22 107.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 81.67 55.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 47.8 mtp -158.98 125.66 4.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -89.49 106.15 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 33' ' ' ILE . 4.6 mp -97.31 133.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.03 150.88 28.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.5 p -125.42 150.75 46.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 2.4 mt -136.68 174.51 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.19 -149.12 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 126.56 48.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 172.27 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -42.84 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -92.39 174.6 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.94 151.29 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -59.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -47.69 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.18 -40.23 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.43 -52.19 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -35.11 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.76 -46.57 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -62.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 16' ' ' ILE . 41.9 mt -49.14 -37.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.48 -30.68 61.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.495 ' HD2' ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.74 -45.99 66.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 4.6 mm? -63.77 -11.55 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.42 -11.09 36.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.97 -159.24 8.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.8 mttt -162.64 127.99 3.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.41 137.71 42.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -123.75 169.83 11.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.19 -37.15 2.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -86.56 136.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 -55.99 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -45.72 -38.03 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -96.42 45.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.14 156.71 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.9 m -105.77 -31.07 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.5 mt -136.23 169.08 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.9 t -143.87 126.59 16.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.9 mt -114.1 95.06 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -126.73 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -111.65 158.72 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -45.83 -56.35 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -41.6 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 2.4 mm-40 -38.0 -64.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 ' CH2' ' A' ' 102' ' ' TRP . 24.5 t -49.03 -40.65 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.6 mt-10 -69.24 -24.9 64.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 5.8 mmtt -78.74 -32.75 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.536 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.7 mmt 55.56 34.48 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.41 173.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.93 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 6.5 mmtt -54.14 -53.58 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 35.1 tpp -65.01 -18.98 65.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.97 -30.72 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.86 -23.58 64.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.08 -25.53 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -72.57 -19.39 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.56 11.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.04 6.86 20.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 47.95 61.89 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.3 mt -104.85 90.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -37.02 129.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.447 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 3.4 t -100.71 118.41 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 m -114.92 171.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t -88.03 -176.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.66 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -48.55 -30.12 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 19.0 t80 -55.36 -46.14 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.86 -38.61 82.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.04 -38.36 88.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.47 ' CA ' ' HB2' ' A' ' 86' ' ' SER . 0.3 OUTLIER -76.91 -56.24 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -25.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.9 t -87.98 -31.77 19.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -148.15 75.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB2' ' CA ' ' A' ' 82' ' ' ASP . 16.7 t -151.29 146.01 25.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.5 t -105.48 42.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -126.27 155.8 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -69.68 150.88 46.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -54.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -50.95 -51.55 51.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.44 -44.94 92.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 88' ' ' LYS . 54.6 mt -53.85 -48.68 69.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 49' ' ' LEU . 21.7 m-30 -53.96 -54.28 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -28.47 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.94 -6.89 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -151.35 37.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.43 121.52 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.4 mt -96.23 -22.49 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -104.09 170.08 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.53 -3.67 23.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.536 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 20.2 p90 -107.92 -163.69 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.17 62.32 1.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.88 -169.63 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.21 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.96 162.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.63 75.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.71 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.76 156.87 13.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.81 3.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -91.01 -59.5 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.0 m 67.01 163.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -59.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.935 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.72 162.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.54 104.31 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.8 141.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -176.41 148.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.36 -111.02 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.0 173.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.8 mtmt 73.1 81.2 0.16 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.83 19.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 36' ' ' LEU . 1.3 mm? -107.35 1.66 23.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -47.82 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.9 t-20 88.23 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -154.88 131.76 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -92.88 128.41 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.2 mp -117.51 137.71 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -113.54 150.55 32.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.1 p -128.39 151.6 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD23 ' CB ' ' A' ' 63' ' ' LYS . 1.3 mt -140.94 175.29 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.39 -150.54 3.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -118.15 131.08 56.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.15 166.62 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -51.81 -46.48 64.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -91.41 178.13 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -92.68 153.49 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -44.28 -59.93 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -47.01 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.03 -42.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' CG1' HD12 ' A' ' 33' ' ' ILE . 77.7 t -73.99 -55.01 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -45.17 -31.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.72 -47.01 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.2 mmm -60.31 -47.15 87.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLY . 74.4 mt -59.84 -35.22 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.68 -40.48 33.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -28.88 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CB ' HD21 ' A' ' 11' ' ' LEU . 44.7 mt -83.8 7.52 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -16.94 56.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -70.19 -164.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.27 123.32 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.47 136.66 42.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -127.78 169.15 14.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.96 -41.45 2.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 85.8 m -80.54 145.73 31.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.425 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.09 -48.28 7.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 43' ' ' THR . 2.3 p-10 -58.36 -17.11 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -115.22 43.43 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.02 162.78 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -105.88 -26.35 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' A' ' 73' ' ' ARG . 13.4 tp -152.83 160.55 43.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 13.0 t -127.29 139.39 52.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 57.0 mt -126.13 95.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.31 -172.2 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 20.1 p -111.4 157.76 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -57.81 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.7 mm-40 -41.81 -68.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.65 -32.89 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.93 -37.61 70.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.51 -48.47 81.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HE3' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 63.14 38.07 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 63' ' ' LYS . 5.7 p30 -70.25 -169.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -61.53 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -44.48 -54.26 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 46.2 tpp -62.6 -38.01 88.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -54.67 -47.51 73.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.28 -38.9 55.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 30.1 t -68.16 -39.55 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -65.66 -41.27 92.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.15 -41.07 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.47 9.16 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.1 t30 40.01 54.81 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 77.8 mt -98.84 119.54 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -54.41 135.36 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.58 114.92 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.446 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 32.1 m -112.05 168.87 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.68 170.85 9.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -17.43 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.51 -28.43 69.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 9.1 t80 -59.66 -46.48 88.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.4 mt -54.92 -50.48 68.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.3 -27.57 64.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' OD1' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.85 -56.9 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -48.4 -28.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -86.66 -30.22 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -128.91 62.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -164.88 151.27 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.3 p -123.38 32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -99.14 174.3 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -78.92 144.96 34.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.9 mm? -51.51 -58.97 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -40.42 -56.16 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.02 -53.81 52.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.518 ' CD1' ' OD1' ' A' ' 82' ' ' ASP . 22.0 mt -47.42 -58.81 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 22.1 m-85 -48.04 -47.45 33.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.68 -59.25 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.94 -18.38 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 78.7 m-70 -129.43 41.78 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -94.69 123.18 46.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 53' ' ' THR . 16.9 mt -96.78 -17.34 20.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 p -109.85 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -5.56 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.571 ' CH2' ' HE3' ' A' ' 60' ' ' MET . 20.1 p90 -109.16 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 90.46 57.55 1.64 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.04 116.68 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.95 160.31 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.5 t -124.08 88.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.85 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.1 p -162.92 84.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.41 157.44 15.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -128.74 103.94 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -39.87 144.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -115.09 135.36 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 63.71 156.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.01 104.94 0.64 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.098 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.03 111.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -162.61 162.97 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.09 -153.12 15.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.07 174.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.1 mttt 69.11 79.91 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.03 -15.2 20.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 12' ' ' SER . 38.0 mt -109.59 -16.13 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -31.89 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.2 t30 87.27 54.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 49.8 mtp -159.2 127.03 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -92.08 110.82 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.4 mp -95.18 136.76 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.6 tm? -114.37 161.79 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 ' N ' HD12 ' A' ' 17' ' ' LEU . 70.2 p -135.96 144.42 45.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.58 124.5 22.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.57 -164.58 37.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.3 133.95 45.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.05 165.96 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -49.5 -46.18 47.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -89.93 179.06 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -92.69 152.49 19.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -43.38 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.18 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -42.03 -35.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.11 -51.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -51.4 -27.63 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.39 -51.2 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 mmm -53.56 -56.5 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 16' ' ' ILE . 78.6 mt -49.89 -34.81 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -78.79 -44.38 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -61.85 -29.66 70.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 37.2 mt -83.31 7.98 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.95 -10.89 59.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.45 -169.84 22.78 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.67 134.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -86.11 139.45 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 3.9 t -124.86 167.14 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -97.7 -43.25 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.462 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -80.45 158.84 25.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -95.73 -44.3 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.94 -33.76 73.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.0 OUTLIER -96.1 38.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 41' ' ' THR . . . -128.19 158.78 37.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -101.18 -28.27 12.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 8.5 tp -149.14 156.81 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 35.5 t -121.8 143.44 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 17' ' ' LEU . 49.6 mt -128.03 94.94 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.2 t -129.82 -172.1 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 p -109.0 161.86 14.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -54.44 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -49.43 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -53.1 -68.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 52.1 t -46.49 -25.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-10 -77.79 -41.02 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -57.51 -37.73 73.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.555 ' HE2' ' CH2' ' A' ' 102' ' ' TRP . 2.1 mmt 52.34 53.58 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.15 175.41 8.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -47.69 -41.36 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -58.19 -52.9 63.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.2 tpp -65.03 -24.56 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 -49.9 69.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 5.1 mm-40 -51.97 -34.57 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 36.1 t -75.77 -40.25 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -65.63 -42.55 91.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.02 -42.78 99.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.21 8.39 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 t30 42.1 54.9 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 85.0 mt -99.82 115.48 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -54.37 121.52 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.485 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 4.0 t -93.74 114.37 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 18.1 m -113.71 172.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -173.31 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -23.3 38.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.569 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 67.1 m-20 -52.6 -40.89 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.517 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 t80 -43.26 -42.29 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -64.26 -40.1 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.5 tp-100 -68.09 -34.8 77.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -79.47 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 90' ' ' LEU . 4.4 p -45.97 -33.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -81.09 -37.99 28.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.14 72.66 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.2 t -145.28 134.03 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 p -86.29 13.64 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.36 -165.78 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 17.0 m -116.11 152.79 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' A' ' 83' ' ' VAL . 4.2 mm? -38.09 -56.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.04 -47.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 96' ' ' ALA . 27.2 mm-40 -59.23 -66.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -41.22 -60.01 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' O ' ' HB ' ' A' ' 98' ' ' ILE . 9.6 m-85 -41.32 -30.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 92' ' ' GLU . 8.6 mt -98.17 -35.82 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.94 2.02 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 99.5 m-70 -145.14 22.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.636 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -74.89 123.21 30.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 52' ' ' SER . 14.2 mt -102.0 -19.54 15.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -110.79 177.05 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -16.62 14.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 60' ' ' MET . 9.7 p90 -96.07 -166.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.78 64.24 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.25 117.72 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.53 162.63 24.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 m -49.18 175.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.33 162.73 28.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.01 111.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.78 173.64 31.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.74 14.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 p -53.57 171.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -59.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 -59.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 p -148.55 165.85 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 111.82 -140.81 16.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t 66.48 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.031 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' GLY . 28.0 t -42.43 151.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.71 131.15 0.43 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.01 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 4.8 mtmt 70.14 81.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' CG ' HG23 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -20.85 16.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 14' ' ' MET . 0.9 OUTLIER -111.48 2.56 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -40.14 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 12' ' ' SER . 17.7 t30 88.45 51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 2.6 mmm -143.89 123.35 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 107.09 15.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 14' ' ' MET . 3.9 mp -95.29 132.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.1 tm? -104.77 159.41 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -139.43 153.95 47.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 2.6 mt -144.98 173.11 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 41.18 -147.54 0.34 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -116.93 137.88 51.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.74 166.77 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -48.52 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -86.6 174.42 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' LYS . 88.9 m-20 -87.43 143.73 27.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.0 tttt -40.05 -51.59 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.3 -64.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.64 -43.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG1' HD11 ' A' ' 33' ' ' ILE . 71.4 t -72.58 -54.73 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -43.75 -43.18 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.97 73.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.97 -47.4 85.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 16' ' ' ILE . 77.4 mt -60.3 -34.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.42 -43.32 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -29.0 70.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 83' ' ' VAL . 48.2 mt -82.67 5.57 20.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.06 -14.35 60.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.18 -165.84 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -157.34 133.88 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.41 135.41 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.44 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 8.5 t -127.53 169.7 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.06 -37.78 4.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 92.9 m -78.92 167.54 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.357 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -106.77 -50.03 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.12 -17.16 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -108.18 38.59 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -140.88 151.65 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -94.95 -31.95 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 73' ' ' ARG . 5.5 tp -127.7 163.35 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -138.94 110.59 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.249 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.79 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -128.45 -172.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.5 p -110.15 154.89 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' LYS . 1.2 tppt? -48.33 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -39.17 -66.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.2 OUTLIER -39.37 -60.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -49.96 -39.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.8 mt-10 -74.26 -23.29 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -82.68 -39.68 21.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.502 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 58.54 58.78 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -84.21 164.16 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -48.59 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -51.73 -59.28 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 54.4 tpp -58.43 -37.03 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -46.41 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.6 -41.72 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.462 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 39.5 t -66.99 -37.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -69.06 -34.65 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.5 -45.74 82.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -85.22 8.48 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 42.99 58.77 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 57.1 mt -102.68 111.68 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD2' ' A' ' 94' ' ' PHE . 8.8 ptp85 -50.6 126.05 14.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 t -96.2 127.35 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.6 m -124.58 171.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.36 -177.71 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -33.62 64.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -35.82 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.404 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 17.6 t80 -45.13 -50.84 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.39 -45.51 80.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -57.1 -22.61 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -94.76 -53.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -56.59 -24.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -91.12 -19.17 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.82 64.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 41.7 t -153.35 141.49 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -110.57 45.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -129.11 -163.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -96.29 161.45 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 3.1 mm? -60.57 -47.37 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.53 -60.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.19 -40.42 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 80.6 mt -67.19 -42.71 83.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 18.4 m-30 -61.25 -53.17 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -29.02 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' GLU . . . -78.07 0.07 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 96' ' ' ALA . 96.5 m-70 -158.05 35.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.1 122.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.7 mt -96.05 -27.24 15.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.418 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 84.6 p -103.52 168.52 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.24 -12.69 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.502 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 9.1 p90 -99.93 -167.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.442 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 102.43 59.6 0.75 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.27 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 125.85 9.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 m -78.93 167.59 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 122.86 19.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t 51.91 83.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -42.13 115.28 0.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.24 2.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 167.03 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m 63.29 130.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -135.83 129.42 32.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 146.36 47.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.46 139.6 2.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -159.98 148.89 17.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p 173.62 154.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.89 -174.83 18.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 82.54 7.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.9 mtmt -119.92 95.06 49.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.444 ' CG ' HD11 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 14' ' ' MET . 23.8 mt -66.76 -13.7 61.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.595 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -42.58 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 91.0 44.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -151.77 121.89 7.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -83.89 126.03 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 14' ' ' MET . 1.9 mp -107.98 136.38 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.1 tm? -112.32 161.15 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.9 p -137.04 145.65 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -131.42 161.97 31.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.91 -141.17 43.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.5 122.69 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -93.56 171.0 9.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -45.04 95.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -84.48 174.23 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -90.05 146.66 24.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.32 -48.91 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -55.34 -65.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.14 -37.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.49 -53.97 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -47.03 -33.08 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.95 -49.19 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -52.14 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mt -59.76 -34.56 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.83 -27.9 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HD2' ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.22 -50.36 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 4.2 mm? -56.14 -21.59 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 -6.05 18.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.05 -162.2 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 128.53 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.38 139.0 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 4.8 t -125.6 169.39 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.41 -43.82 2.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 6.2 m -78.69 159.53 27.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -96.8 -40.61 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -64.14 -32.89 74.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -95.58 36.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.97 161.17 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -103.69 -27.36 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 73' ' ' ARG . 12.5 tp -148.36 161.33 41.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 t -126.63 142.24 51.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -126.4 94.99 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.488 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 7.6 t -127.33 -172.13 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 67.1 p -115.22 161.24 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -48.16 -54.07 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.43 -66.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -39.18 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' HE1' ' A' ' 64' ' ' MET . 61.4 t -46.11 -56.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.3 -24.51 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.3 ptpt -78.5 -39.69 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.1 mmt 57.5 53.15 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.429 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -86.19 174.81 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -47.77 -56.01 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.32 -43.41 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 40.3 tpp -75.67 -23.23 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -68.89 -42.8 76.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 9.8 mm-40 -59.61 -29.36 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 60.8 t -82.81 -34.57 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -71.01 -46.17 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 18.5 pt-20 -56.67 -42.87 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -86.65 7.16 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 t30 44.67 53.35 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 86.6 mt -95.6 118.16 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.486 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.22 127.81 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG2' HG11 ' A' ' 67' ' ' VAL . 9.4 t -102.75 115.04 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.8 173.54 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -94.1 176.93 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -8.88 57.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -76.91 -9.73 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -74.71 -34.92 62.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.05 -53.18 33.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -60.37 -17.87 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -92.75 -43.7 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.75 -15.57 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.65 -6.1 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.38 36.54 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.0 t -151.73 140.31 20.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -112.45 30.6 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -93.55 -177.71 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -82.19 131.97 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -40.29 -51.84 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.81 -45.52 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.7 mm-40 -65.82 -41.69 91.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.8 -50.42 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 22.2 m-85 -53.25 -54.21 39.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.01 -28.03 69.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.46 -5.03 45.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.42 ' NE2' ' CG ' ' A' ' 82' ' ' ASP . 85.9 m-70 -153.25 35.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.21 121.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.5 mt -94.3 -20.19 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.7 p -102.95 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.97 6.68 15.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -123.74 -166.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 97.66 52.25 1.44 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 65.58 154.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -102.98 169.3 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 p -76.11 138.23 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -154.51 177.86 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.65 154.78 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.17 151.81 50.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 120.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.35 143.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -118.06 -59.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 50.39 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.27 119.92 1.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -178.77 143.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.92 151.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.32 173.28 18.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.3 mtmt -140.23 94.3 8.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.55 12.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.2 mm? -106.59 8.36 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -48.66 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' SER . 3.1 t-20 84.57 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.66 123.58 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -86.67 126.79 34.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.8 mp -105.98 144.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.4 tm? -117.18 158.18 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -136.99 142.15 42.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -137.68 126.18 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.26 -142.85 16.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -127.62 147.66 50.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.08 -179.44 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 t -66.99 -41.52 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -90.12 178.52 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 79.5 m-20 -96.7 142.82 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ASN . 6.1 ttpt -39.98 -38.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.29 -39.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 32' ' ' MET . 59.4 t -76.6 -54.44 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -46.23 -24.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -84.7 -64.32 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 7.8 ptm -45.84 -42.87 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.541 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 85.2 mt -61.87 -33.91 60.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.1 mt-10 -79.67 -34.41 40.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.99 -33.1 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 83' ' ' VAL . 73.1 mt -69.53 -15.0 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' CA ' ' HD2' ' A' ' 9' ' ' LYS . . . 110.75 -9.04 29.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.68 -158.16 33.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -163.27 140.35 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -84.15 135.65 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.504 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.3 t -125.03 169.41 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.42 -48.08 1.74 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -81.29 149.12 29.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 0.774 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -85.88 -36.8 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -21.04 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.66 42.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.85 159.38 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 m -100.27 -28.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' LEU . 15.8 tp -149.33 162.28 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 43.4 t -126.15 145.1 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.5 mt -130.23 93.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -129.07 -171.57 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.47 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 22.1 p -111.09 175.16 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -54.48 -55.52 28.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.7 OUTLIER -51.83 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.29 -32.28 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.21 -35.96 74.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.56 -47.91 76.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.491 ' HE2' ' CH2' ' A' ' 102' ' ' TRP . 1.7 mmt 63.67 35.49 11.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.7 t30 -67.39 -166.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -64.27 -57.63 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.51 -27.11 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.48 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 47.1 tpp -95.88 -20.32 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 3.1 pt-20 -72.73 -36.85 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.63 -38.51 91.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.474 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 57.7 t -67.16 -35.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -70.28 -30.06 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -73.56 -41.69 62.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.63 13.86 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 7.5 t30 39.55 49.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.474 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 81.4 mt -92.48 106.81 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.2 ptp85 -47.69 130.13 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 67' ' ' VAL . 11.0 t -102.01 116.21 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.46 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 20.9 m -112.21 173.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -97.02 177.85 5.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 -11.17 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.33 -14.5 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 14.9 t80 -72.6 -44.09 62.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 22.2 mt -63.18 -52.21 63.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -53.99 -19.62 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -96.83 -57.07 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.83 -35.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -79.84 -29.79 40.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -136.11 70.53 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 13.1 t -169.31 143.16 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 t -108.05 39.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.74 163.29 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.7 m -77.13 145.8 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.7 mm? -46.34 -58.72 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -40.71 -62.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.81 -52.08 63.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.65 -52.52 17.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 90' ' ' LEU . 20.3 m-85 -55.29 -52.77 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 91' ' ' GLN . 8.5 mp -59.32 -45.7 90.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -13.02 46.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 68.7 m-70 -140.84 42.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -97.4 121.42 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 52' ' ' SER . 45.6 mt -95.36 -27.42 15.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.2 p -98.11 169.54 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.53 -8.92 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.491 ' CH2' ' HE2' ' A' ' 60' ' ' MET . 13.9 p90 -104.23 -163.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 80.27 60.29 2.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' GLU . . . -85.04 103.95 14.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER 34.3 -150.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.436 ' N ' ' CG ' ' A' ' 105' ' ' GLU . 10.9 p -170.76 168.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -128.36 109.12 11.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.2 t -135.16 117.64 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -107.97 -123.03 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 143.62 29.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 p -61.67 -63.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.07 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -92.98 -61.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m 63.02 165.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.6 147.0 17.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -172.9 131.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.16 160.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 179.35 16.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -91.57 90.44 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.8 mtmm -121.79 97.7 46.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -33.4 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.04 0.94 52.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.521 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -45.75 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.1 t-20 83.07 53.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 89.6 mtp -153.93 124.71 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -84.96 122.81 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 14' ' ' MET . 2.5 mp -106.28 135.18 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -108.55 162.17 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -138.62 148.04 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -140.52 151.43 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.94 -157.29 51.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 119.62 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.42 173.17 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -59.81 -45.48 92.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -84.53 -178.86 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 1.4 p30 -106.37 145.36 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -39.91 -35.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -61.73 -62.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 4.1 mm-40 -46.3 -54.49 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 83.9 t -63.05 -41.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 12.9 tttt -58.26 -32.13 68.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.28 -44.83 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 1.6 mmm -60.74 -36.2 78.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 29.8 mt -74.39 -25.34 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.86 -55.73 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -46.59 63.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 83' ' ' VAL . 23.7 mt -54.51 -41.79 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.18 -10.82 3.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -84.93 -160.05 31.83 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.31 129.0 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.59 137.85 42.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 4.2 t -127.02 169.32 13.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.2 -44.08 2.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.463 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 2.7 m -76.03 165.5 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -99.9 -47.15 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.92 -35.55 75.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.1 OUTLIER -91.93 37.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.52 155.95 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -103.95 -31.37 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD21 ' CE2' ' A' ' 79' ' ' PHE . 5.6 tp -130.61 162.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.3 t -137.81 123.69 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.77 95.12 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.8 t -126.84 -171.63 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.3 p -115.6 158.39 22.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -56.31 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.4 mttp -41.36 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.7 mm-40 -36.72 -65.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 ' N ' ' HE3' ' A' ' 64' ' ' MET . 21.6 t -45.79 -54.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.09 -26.5 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmtt -80.24 -29.07 38.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.505 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 1.7 mmt 52.26 33.24 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.69 173.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 11.8 mttt -53.84 -51.53 63.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -48.14 -28.45 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 38.1 tpp -95.41 -19.93 19.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 2.7 pt-20 -78.0 -33.7 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 44' ' ' ALA . 2.4 mm-40 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -91.08 -26.69 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -71.43 -20.5 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 2.0 mm-40 -86.85 -37.81 17.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.71 11.12 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t30 44.05 60.09 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 57.8 mt -107.82 108.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -52.59 132.49 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.575 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 12.5 t -103.37 114.83 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 m -112.27 172.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.6 p -84.29 -173.92 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -46.63 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -41.36 -33.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.473 ' CE2' HD21 ' A' ' 49' ' ' LEU . 9.6 t80 -45.16 -35.45 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.08 -56.83 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -54.2 -19.53 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -93.34 -45.67 7.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -66.09 -16.92 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.467 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.9 t -106.31 2.25 26.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.77 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 4.9 t -169.87 126.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 p -89.12 42.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.66 143.44 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 m -63.55 135.47 56.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 3.0 mm? -40.22 -62.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.93 -43.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.8 mm-40 -71.05 -54.1 12.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -47.85 -47.32 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.8 m-30 -55.06 -54.48 42.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -28.1 68.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.66 -7.21 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -150.57 37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.64 121.52 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 52' ' ' SER . 95.9 mt -95.88 -27.3 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.538 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 76.7 p -96.83 173.66 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 0.11 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.575 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 30.0 p90 -113.13 -163.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.019 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.405 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 86.41 56.96 2.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 70.04 158.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.7 pt-20 -160.74 67.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 107' ' ' LYS . 14.9 p -138.05 158.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 106' ' ' VAL . 9.8 mttt -90.16 142.75 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.77 97.1 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.2 t -48.44 138.5 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 162.16 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.92 140.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.72 163.74 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.58 165.88 44.83 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -174.83 146.45 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 0.807 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.7 152.45 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.63 140.52 9.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 57.84 -167.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.4 mttt 51.52 92.29 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.431 ' CG ' HG21 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -37.02 2.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 12' ' ' SER . 2.1 mm? -84.34 -22.63 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -31.08 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' SER . 5.5 t-20 83.23 54.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 50.6 mtp -158.4 128.3 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.26 19.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.1 mp -95.55 139.96 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.1 151.56 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 HG21 ' CG1' ' A' ' 29' ' ' VAL . 41.4 p -124.98 141.26 52.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -126.05 165.68 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.14 -158.56 5.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.35 124.56 51.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.99 172.17 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -43.32 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.39 176.6 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 2.3 p30 -105.77 152.83 22.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -40.63 -47.32 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -52.97 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 3.6 mm-40 -45.0 -55.82 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 18' ' ' THR . 90.4 t -59.97 -39.89 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LYS . 11.1 tttt -62.63 -35.6 80.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -57.71 -67.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLY . 20.1 mt -45.71 -30.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.15 -39.89 39.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.1 OUTLIER -61.24 -49.51 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 2.2 mm? -55.14 -39.79 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.88 -8.23 4.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.81 -162.14 33.2 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.98 131.57 10.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 140.55 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -123.96 169.8 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.83 -46.59 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.419 1.074 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -77.82 142.46 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -82.87 -38.65 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -63.12 -18.59 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.26 44.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.35 160.28 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.3 m -111.49 -29.37 7.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 94' ' ' PHE . 6.5 tp -130.91 160.97 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.1 t -143.11 118.12 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CD1' HD11 ' A' ' 80' ' ' LEU . 62.6 mt -103.49 94.76 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.488 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.3 t -125.5 -172.16 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -112.97 156.69 22.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -55.17 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' GLU . 14.1 mttt -45.32 -65.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -37.4 -66.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.36 -41.88 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.1 mt-10 -68.03 -27.79 66.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.2 mmmm -71.11 -34.88 71.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.3 mmt 57.82 20.32 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 64' ' ' MET . 47.6 p-10 -58.41 167.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -43.26 -56.39 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HB3' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -43.15 -40.98 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.486 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 37.5 tpp -82.54 -26.75 32.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -67.5 -37.29 82.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 17.6 mm-40 -64.31 -30.36 71.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 84.0 t -82.79 -30.93 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -70.21 -50.97 34.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 6.4 pt-20 -53.08 -45.97 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -82.43 7.24 14.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 103' ' ' GLY . 4.0 t30 39.08 69.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 50.5 mt -112.83 115.03 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -51.63 125.67 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.419 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 16.5 t -97.71 131.77 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.6 m -125.77 177.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t -97.44 179.54 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -20.08 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -21.39 66.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 20.8 t80 -60.2 -46.91 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 51' ' ' ILE . 60.6 mt -61.65 -40.81 96.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -65.86 -18.42 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.41 -51.43 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -51.03 -34.32 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -86.35 -23.77 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.15 64.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -179.56 116.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.7 t -89.89 43.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -103.04 157.85 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.2 m -64.39 132.73 50.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 3.3 mm? -39.85 -58.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.59 -60.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.17 -48.27 71.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.5 mt -52.32 -49.89 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' ILE . 20.0 m-30 -56.13 -53.49 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.5 -44.57 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.21 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' PHE . 86.1 m-70 -142.14 43.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.81 122.0 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 52' ' ' SER . 35.1 mt -97.57 -18.29 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.8 p -109.37 171.76 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.93 -11.03 16.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.419 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 15.9 p90 -100.26 -166.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 107.02 -80.91 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.25 156.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -44.13 129.29 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.9 p -171.13 126.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.84 99.0 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -141.26 95.09 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.53 87.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.41 82.89 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -58.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -177.64 124.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -173.75 115.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.3 -118.84 2.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -173.96 129.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -167.53 154.26 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.04 67.18 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.16 100.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -134.64 81.06 48.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 18.3 Cg_endo -74.94 -16.85 20.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 12' ' ' SER . 24.4 mt -107.37 -15.66 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -33.73 105.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 86.71 54.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 56.6 mtp -157.93 144.52 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -104.58 109.27 21.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -95.24 136.09 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -122.69 148.32 45.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -121.92 149.08 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.469 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.18 135.15 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -148.8 29.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 128.39 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.53 165.9 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.23 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -89.34 174.11 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.09 149.56 23.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -51.49 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -54.01 -62.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -40.99 -40.07 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 33' ' ' ILE . 77.3 t -76.1 -54.14 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -47.38 -32.65 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.1 -54.14 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.2 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 93.6 mt -59.97 -34.97 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -45.87 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -31.33 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 80' ' ' LEU . 37.1 mt -81.63 5.13 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.38 -9.31 64.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.99 -177.08 39.06 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.98 133.94 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -86.78 137.4 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -128.48 167.64 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.83 -41.47 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.0 m -78.37 148.17 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -91.96 -41.93 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.96 -12.69 39.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -117.86 41.37 2.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.85 159.33 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -101.68 -30.2 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 12.5 tp -145.98 159.61 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 4.7 t -130.06 147.06 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 47.5 mt -127.64 98.75 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -133.29 -172.67 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -103.85 -176.51 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -34.36 49.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' LYS . 14.4 tttt -59.2 -57.26 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -49.37 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -48.66 -35.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.17 -26.16 55.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -78.53 -38.98 39.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 59.47 56.18 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -81.53 168.59 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -49.51 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -52.92 -48.99 66.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 52.7 tpp -67.11 -30.18 70.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.69 84.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.84 -37.83 64.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 35.2 t -69.61 -39.39 78.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -65.83 -42.03 91.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.73 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -85.37 8.34 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.4 58.0 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 69.8 mt -100.9 113.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.524 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -51.54 121.02 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.62 114.46 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 27.6 m -115.88 170.87 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 178.1 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 4.3 tt0 -85.97 -7.02 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.33 -29.84 64.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -49.38 -32.05 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 36' ' ' LEU . 78.7 mt -67.53 -47.96 68.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.3 -37.47 83.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 1.7 m-20 -78.82 -66.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.501 HG12 ' CE1' ' A' ' 79' ' ' PHE . 7.2 p -40.26 -38.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.2 t -75.48 -41.92 54.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -133.07 71.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' ASP . 46.9 t -149.77 144.43 26.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.4 p -91.11 30.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.43 143.42 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.4 m -69.05 159.47 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -49.87 -48.74 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -46.98 -33.05 4.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.56 -64.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 97' ' ' HIS . 3.8 mm? -44.33 -55.57 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.586 ' CE1' ' CE2' ' A' ' 79' ' ' PHE . 20.3 m-30 -43.25 -29.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.56 -38.16 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.67 2.19 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' A' ' 93' ' ' LEU . 78.5 m-70 -148.55 29.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -78.66 124.0 36.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 52' ' ' SER . 17.6 mt -103.31 -13.76 16.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -114.77 172.38 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.23 3.25 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.424 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 10.5 p90 -121.73 -168.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.465 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 96.07 42.57 3.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 103' ' ' GLY . . . 77.84 155.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.37 125.77 20.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 5.2 p -158.4 140.48 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -174.63 98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.04 90.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.75 107.08 0.92 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.96 14.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.2 p -150.4 129.1 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.37 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -168.05 161.92 12.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 0.811 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 136.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.92 -179.04 19.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 61.42 125.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -158.86 134.86 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.16 178.29 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 65.49 -175.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 11.6 mttt 54.58 95.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.96 -27.29 10.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -102.29 0.32 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -46.69 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' SER . 10.1 t-20 85.27 54.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -158.71 132.83 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -90.6 129.84 36.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.0 mp -115.77 142.12 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.74 151.44 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -123.98 142.31 51.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 1.2 mt -134.89 134.16 40.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.56 -175.04 53.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 129.78 38.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.71 170.81 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -47.17 65.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -91.93 177.69 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.2 m-20 -94.71 150.6 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 4.7 tptt -39.84 -64.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.19 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.95 -39.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 33' ' ' ILE . 86.3 t -77.87 -52.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -48.0 -31.04 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -52.26 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.436 ' HE3' ' CB ' ' A' ' 84' ' ' SER . 2.1 mmm -54.0 -50.08 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' GLY . 40.7 mt -59.41 -26.44 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.29 -56.93 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -49.07 51.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 15.7 mt -52.11 -43.02 63.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.54 -11.53 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.0 -162.09 31.83 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 132.71 8.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -76.9 137.76 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -127.61 163.99 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.3 -37.62 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -85.49 145.01 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.365 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 66' ' ' GLU . . . -83.76 -53.17 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -21.79 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.83 46.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.72 160.11 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -109.55 -30.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -132.75 157.78 44.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.8 t -136.91 115.6 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 80' ' ' LEU . 21.7 mt -102.69 94.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 3.1 t -124.72 -172.12 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -116.09 153.93 30.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -44.34 -57.33 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -40.56 -66.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -40.22 -61.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -49.44 -37.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.5 mm-40 -71.83 -27.39 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -78.4 -36.11 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 57.36 54.6 6.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.77 168.87 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.4 -43.16 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 3.9 mmtp -56.74 -51.85 67.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 47.8 tpp -68.24 -15.79 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt-10 -80.08 -35.29 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 44' ' ' ALA . 2.7 mm-40 -65.54 -23.19 66.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -29.19 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -66.18 -23.2 66.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 3.4 mt-10 -84.49 -44.17 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.29 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 0.8 OUTLIER 48.33 67.58 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ARG . 18.5 mt -100.96 98.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HG2' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -34.39 109.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 12.6 t -87.44 115.08 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 25.8 m -118.55 173.01 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.76 -177.14 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -31.62 40.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.69 -22.66 9.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.452 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 8.3 t80 -59.21 -46.33 88.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 36' ' ' LEU . 33.7 mt -57.54 -44.43 85.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.84 -31.74 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -85.1 -55.55 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -22.96 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.436 ' CB ' ' HE3' ' A' ' 32' ' ' MET . 22.6 t -93.85 -26.45 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.44 70.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 7.3 t -163.97 126.25 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -89.58 39.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.57 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 m -64.01 142.42 58.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -50.74 -48.84 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -40.14 61.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.16 -61.24 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 82' ' ' ASP . 93.6 mt -43.01 -46.55 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' HB3' ' CD ' ' A' ' 73' ' ' ARG . 12.0 m-30 -54.39 -54.9 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.75 -28.39 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.56 1.11 47.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 95.8 m-70 -151.91 36.23 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.667 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.52 ' CD1' ' HG2' ' A' ' 73' ' ' ARG . 1.1 tp -89.92 127.65 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 52' ' ' SER . 22.1 mt -104.34 -17.92 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 98' ' ' ILE . 20.0 p -114.23 170.79 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -28.61 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.479 ' CZ2' HG22 ' A' ' 74' ' ' VAL . 29.1 p90 -81.8 -168.91 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.517 ' HA3' ' CG ' ' A' ' 73' ' ' ARG . . . 103.88 67.96 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.4 134.95 16.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 42.06 90.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 m -90.33 19.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tttm 57.74 61.81 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.99 134.66 52.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.71 -85.74 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.02 42.33 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.2 p -166.9 -61.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -54.73 -56.93 14.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -170.54 144.88 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.4 168.21 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.33 173.54 21.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -134.19 171.68 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.06 169.27 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.19 -167.48 22.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.52 96.55 8.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 10.5 mtmt -135.42 81.38 43.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -18.0 18.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 2.0 mm? -110.42 -0.9 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -44.41 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.3 t-20 88.81 52.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 62.1 mtp -155.23 124.71 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -85.83 117.37 24.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.6 mp -100.52 138.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -112.56 160.55 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 p -141.42 152.16 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 HD13 ' CE ' ' A' ' 64' ' ' MET . 3.6 mt -136.53 175.11 9.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.19 -108.54 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 134.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -97.79 -166.28 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -19.88 60.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -102.8 -178.21 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.36 152.32 20.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -45.4 -44.39 11.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.18 -64.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -40.07 -36.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 78.8 t -80.16 -54.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -47.73 -34.69 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.64 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -53.51 57.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 10.1 mt -53.48 -31.85 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.26 -44.82 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.68 69.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 83' ' ' VAL . 37.6 mt -82.01 4.67 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -14.61 62.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -76.9 -161.64 13.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -162.77 127.53 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.36 149.21 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.479 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.8 t -138.72 166.73 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.08 3.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.461 ' CG2' ' HD3' ' A' ' 46' ' ' LYS . 2.4 m -77.96 166.0 23.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -101.33 -49.07 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -57.32 -34.34 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER -91.73 37.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.71 163.65 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -109.11 -24.38 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 73' ' ' ARG . 12.0 tp -147.85 160.85 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.8 t -126.07 146.08 50.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 65.9 mt -133.55 94.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.08 -171.45 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.2 p -113.44 169.44 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -54.93 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -45.91 -51.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -53.5 -66.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.22 -27.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.68 -39.58 57.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -59.43 -50.0 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.475 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.7 mmt 62.76 37.73 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.73 -170.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.76 98.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -61.26 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.475 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.0 tpp -59.52 -17.86 35.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 mm-40 -79.94 -30.47 39.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -69.14 -23.46 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -26.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -72.06 -20.55 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mm-40 -84.63 -43.42 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.95 -2.41 57.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.85 63.13 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 24.2 mt -103.54 104.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -41.71 133.74 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.524 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 4.3 t -107.29 117.22 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.88 171.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.73 172.03 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 1.6 tm-20 -66.48 -26.81 67.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.39 -31.45 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 18.2 t80 -45.05 -51.54 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -58.49 -41.86 86.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -62.36 -19.89 63.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.68 -53.26 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -54.23 -30.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -86.66 -25.13 25.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.3 64.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.1 t -177.2 120.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 87' ' ' THR . 4.0 t -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 158.53 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -70.06 133.26 47.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.3 mm? -40.38 -59.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -39.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.8 mm-40 -75.42 -49.83 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 30.4 mt -52.2 -50.41 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.634 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.8 m-85 -52.98 -54.65 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -27.47 68.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.95 -8.92 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -150.07 37.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -87.47 121.84 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.4 mt -95.39 -27.06 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.6 p -99.95 167.0 10.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.49 -17.43 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 12.5 p90 -91.95 -164.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 90.84 58.81 1.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.82 139.17 39.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.52 126.85 8.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -170.6 35.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.36 125.79 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.87 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -175.7 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.76 8.11 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -82.56 142.3 31.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -64.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -143.67 123.45 13.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.99 136.0 45.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.27 168.95 22.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 60.49 76.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p 178.22 146.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.88 82.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -145.61 73.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HG2' ' CA ' ' A' ' 37' ' ' GLY . 9.8 mtpt -133.08 101.79 13.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.488 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 -30.05 7.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD21 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -101.44 18.08 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.528 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.65 107.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 12' ' ' SER . 16.6 t30 83.58 54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.409 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -163.81 127.74 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -88.76 128.19 35.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -108.46 139.37 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -107.12 160.87 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.2 p -142.45 145.25 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.31 175.42 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.38 -110.67 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.71 135.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -95.96 -166.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -22.44 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -97.24 177.37 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -93.62 148.81 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -50.69 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -64.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.1 -40.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 33' ' ' ILE . 70.3 t -76.65 -55.06 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -46.7 -34.45 5.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -67.98 -53.9 22.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' LYS . 17.0 mmm -52.18 -61.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 16' ' ' ILE . 79.1 mt -47.18 -37.33 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.83 -29.9 56.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -76.87 -42.56 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD12 ' CD ' ' A' ' 10' ' ' PRO . 1.9 mm? -60.72 -16.04 35.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' CA ' ' HG2' ' A' ' 9' ' ' LYS . . . 112.37 -8.34 26.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.14 -157.46 29.56 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.6 mttt -161.99 132.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.31 132.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.508 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.4 t -123.18 167.34 13.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -96.85 -44.7 2.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.0 m -77.73 148.75 34.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.42 -38.72 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.22 -18.1 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -111.96 39.55 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.3 159.03 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -105.8 -28.42 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 79' ' ' PHE . 6.9 tp -132.02 160.13 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.0 t -134.99 119.6 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mt -109.37 95.78 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.2 t -130.17 -172.0 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.5 p -111.06 156.49 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -56.23 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -44.43 -51.11 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -52.51 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.1 t -46.23 -27.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.86 -37.5 34.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -56.55 -52.32 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt 61.62 43.69 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.99 -173.11 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -51.29 63.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.433 ' HE2' ' CB ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -49.96 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.67 -36.89 17.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -71.48 -49.06 49.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -60.47 -34.9 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.34 -44.97 86.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . . . -86.71 11.23 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 12.3 t30 39.16 61.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 49.9 mt -105.09 118.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 7.9 ptp85 -55.35 121.33 8.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 20.8 t -93.12 128.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 29.0 m -125.1 171.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -90.8 168.0 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.52 -22.75 66.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.8 m-20 -57.81 -46.37 84.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' CE2' HD23 ' A' ' 49' ' ' LEU . 12.0 t80 -38.15 -39.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.2 -50.93 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . 4.7 tp60 -58.49 -25.88 62.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -86.95 -56.42 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.51 -36.84 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -78.05 -33.03 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.0 67.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.9 t -175.24 125.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -95.23 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -108.01 150.33 27.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 135.62 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.7 mm? -39.98 -62.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.25 -54.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -56.09 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.7 mt -43.26 -48.17 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 19.8 m-30 -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 95' ' ' LEU . 1.5 mm? -57.82 -29.26 64.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.11 -20.08 57.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 67.7 m-70 -140.46 47.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.38 121.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 52' ' ' SER . 35.7 mt -96.63 -24.17 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.496 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.3 p -104.93 166.44 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.38 1.75 33.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.512 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 13.1 p90 -111.94 -164.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 93.97 63.26 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -138.33 -172.83 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.86 132.89 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 p -172.72 171.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.73 89.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.7 p -178.81 -175.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.35 88.53 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.37 18.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.9 m 43.06 86.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.8 p -141.26 79.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -74.38 157.76 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.21 123.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.54 171.87 31.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -178.06 163.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.01 168.49 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.06 74.2 2.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -160.59 176.45 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 2.6 mtmp? 64.8 85.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' CG ' HG23 ' A' ' 83' ' ' VAL . 18.5 Cg_endo -74.94 -32.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' MET . 46.3 mt -85.7 -14.9 44.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -39.72 96.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 12' ' ' SER . 8.1 t-20 93.37 48.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -159.52 131.03 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -91.93 129.97 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.6 mp -113.55 127.28 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 1.1 tm? -103.31 160.7 14.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -138.81 148.71 44.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -132.34 175.45 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.32 -134.08 1.75 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 139.35 40.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 mt -107.92 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -85.28 172.57 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -86.86 147.49 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -50.12 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -63.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -39.18 -42.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG1' HD13 ' A' ' 33' ' ' ILE . 65.0 t -74.81 -56.14 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -43.63 -33.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -48.7 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.88 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 63.4 mt -70.64 -29.16 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -82.67 -48.95 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -35.62 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.61 -3.47 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.32 -9.56 71.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -77.73 -167.56 29.74 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -155.18 123.34 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.64 139.62 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' CG2' HD21 ' A' ' 17' ' ' LEU . 5.3 t -123.02 169.94 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.11 -47.75 2.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.4 m -79.96 160.53 25.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.382 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -93.34 -43.67 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -14.91 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 42.34 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -136.75 152.96 50.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -94.05 -32.91 13.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -143.99 154.5 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.3 t -115.79 136.48 53.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.6 mt -122.62 95.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -133.73 -171.63 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.09 -55.12 34.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 6.7 tptm -39.48 -66.63 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.4 tm-20 -39.46 -62.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -49.11 -38.39 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.8 mt-10 -72.67 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -83.37 -37.38 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.545 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 2.5 mmt 58.78 56.47 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -72.84 172.39 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -49.47 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.28 -49.38 67.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.498 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 48.7 tpp -72.19 -15.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 2.4 mt-10 -84.12 -12.57 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.45 -31.1 18.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -79.98 -31.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -65.36 -27.89 68.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -78.65 -39.16 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 8.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 2.7 t30 48.07 49.82 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.78 109.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.59 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.0 ptp180 -54.54 124.96 17.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.408 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 3.9 t -92.52 115.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 15.1 m -116.86 172.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -91.71 -173.86 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.61 -29.22 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -46.93 -44.13 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.0 t80 -43.98 -36.86 2.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 49.8 mt -67.46 -44.41 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.5 tp60 -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -89.23 -58.06 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 HG23 ' CG ' ' A' ' 10' ' ' PRO . 5.5 p -49.86 -27.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -90.16 -35.38 15.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.04 64.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 29.7 t -140.19 159.23 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.9 p -119.64 15.84 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -114.5 -170.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.3 m -98.44 148.47 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -39.93 -50.17 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.77 -39.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.9 mm-40 -69.27 -68.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -38.41 -53.67 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 9.4 m-85 -47.66 -56.77 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -78.21 1.71 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 79' ' ' PHE . 79.7 m-70 -150.39 29.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -83.58 122.69 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 52' ' ' SER . 33.8 mt -99.85 -22.56 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.441 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.0 p -106.9 174.09 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.93 -12.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.545 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 13.3 p90 -101.99 -165.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.13 57.35 1.91 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -105.75 115.78 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.79 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.99 163.07 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -146.23 66.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.47 174.49 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 107.79 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.28 166.31 11.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.34 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t 66.66 81.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.85 80.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -143.84 158.37 43.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -109.6 -62.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.97 164.27 39.07 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.24 171.35 9.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -169.46 150.53 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 178.91 24.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.34 100.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 9.1 mtmt -135.63 81.66 41.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.98 19.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.6 mt -104.75 -19.0 14.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -34.61 106.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.8 t30 83.85 54.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 51.4 mtp -159.24 125.78 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -88.81 110.52 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.7 mp -95.91 138.41 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 41' ' ' THR . 2.5 tm? -115.22 159.18 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.463 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 13.9 p -132.62 126.85 33.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -113.11 117.44 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -112.72 4.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -176.7 138.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.71 -171.91 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -18.35 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -103.28 -177.46 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -98.56 151.21 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -50.25 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.72 -65.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.1 -37.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -78.76 -55.05 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -48.71 -31.67 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.57 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -54.73 38.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 14.2 mt -52.04 -32.1 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.63 -50.21 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.14 63.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD11 ' CG1' ' A' ' 83' ' ' VAL . 42.9 mt -81.65 4.68 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.83 -16.55 56.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -71.48 -163.63 5.85 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.23 131.12 5.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 33' ' ' ILE . 5.9 tt -80.87 153.97 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.505 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 3.1 t -138.26 168.11 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -96.4 -40.39 3.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -83.37 163.41 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.12 -54.73 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -51.83 -28.95 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -99.3 41.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -139.74 150.98 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 m -97.93 -22.48 16.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mt -136.58 168.59 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.46 124.94 13.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mt -111.42 95.66 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 5.5 t -128.13 -171.63 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -114.33 173.13 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -62.81 -43.56 98.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -53.67 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -51.3 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.35 -22.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.47 -31.02 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -73.05 -37.05 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.475 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 mmt 54.08 53.09 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 22.3 t30 -86.61 165.46 16.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -39.65 -39.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mmmt -55.02 -62.36 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 31.7 tpp -57.87 -21.81 44.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.72 -28.31 58.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 2.1 mm-40 -70.81 -25.16 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -27.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -74.77 -19.99 59.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 7.8 pt-20 -81.7 -45.99 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -85.13 10.68 11.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 17.8 t30 44.2 65.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 28.7 mt -108.43 101.57 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.6 ptp85 -42.5 127.69 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.576 HG23 ' CZ2' ' A' ' 102' ' ' TRP . 4.5 t -101.33 126.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.87 174.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.53 175.5 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -68.38 -31.7 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 m-20 -50.74 -40.13 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.4 t80 -37.01 -54.06 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -55.2 -48.13 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -57.76 -21.19 40.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -94.08 -58.22 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -48.04 -36.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' HG11 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -79.06 -32.57 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -131.49 69.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -178.92 115.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -87.71 46.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.39 161.72 13.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -63.55 137.59 58.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -56.64 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 7.0 mp0 -50.44 -49.33 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.32 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.0 mt -47.09 -48.94 22.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 98' ' ' ILE . 20.5 m-30 -55.38 -53.15 59.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.12 -34.25 74.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.77 -8.31 54.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -150.05 40.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.59 122.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 80.3 mt -97.6 -18.1 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.521 ' OG ' ' CD2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -108.08 165.29 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -4.45 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.576 ' CZ2' HG23 ' A' ' 74' ' ' VAL . 27.6 p90 -104.16 -163.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.439 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.78 59.4 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.416 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 61.13 156.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.86 149.59 24.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 83.3 t -66.94 125.84 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 70.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.73 -59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.12 149.77 3.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 79.14 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -69.07 142.31 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -159.17 -61.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 147.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -95.53 146.18 24.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.69 144.45 4.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -146.0 139.65 26.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.955 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.8 158.2 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 63.85 0.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.44 86.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 11.0 mtmt -137.03 82.47 30.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -20.95 16.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 1.8 mm? -109.16 2.32 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -45.23 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.2 t30 87.32 54.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 38.3 mtp -154.42 129.03 9.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -88.11 111.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 33' ' ' ILE . 4.1 mp -97.01 134.43 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 41' ' ' THR . 1.6 tm? -113.9 158.85 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -138.25 134.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 -98.41 1.09 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? 176.99 139.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.647 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -91.88 -164.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -74.62 -26.34 59.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -97.52 -178.36 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -92.34 148.39 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -41.23 -60.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.39 -64.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.98 -44.24 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' CG1' HD12 ' A' ' 33' ' ' ILE . 59.6 t -73.16 -56.33 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -43.76 -34.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.95 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.444 ' HE3' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -53.15 -50.3 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 16' ' ' ILE . 74.6 mt -55.37 -34.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.96 -46.53 18.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -29.68 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 83' ' ' VAL . 54.1 mt -79.77 1.69 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 -14.63 64.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.13 -165.4 14.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.7 mmtp -158.8 123.93 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.28 137.98 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.512 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 3.6 t -125.89 169.78 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG1' ' A' ' 41' ' ' THR . . . -96.76 -46.63 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.8 m -73.33 169.18 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.62 -48.8 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -61.93 -14.48 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.17 37.98 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -132.06 153.1 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -91.4 -31.48 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 17.8 tp -145.3 161.33 39.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 53.3 t -122.88 139.9 53.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 17' ' ' LEU . 63.5 mt -129.26 93.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 3.5 t -127.87 -171.51 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.473 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 32.5 p -111.79 159.08 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -45.7 -58.27 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -62.62 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.6 mm-40 -42.43 -66.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' MET . 64.6 t -44.69 -44.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.83 -38.05 74.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.47 -48.1 76.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.562 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 1.2 mmt 64.77 35.28 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.11 -176.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.7 -45.86 88.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 6.1 mttt -53.95 -31.07 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.491 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 32.1 tpp -92.3 -12.18 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.9 pt-20 -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.82 -26.25 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -27.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -70.66 -20.47 62.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.6 mm-40 -87.83 -37.76 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.65 8.73 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 46.26 52.48 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.95 114.17 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -58.28 133.48 55.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG22 ' CZ2' ' A' ' 102' ' ' TRP . 12.0 t -102.51 123.12 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 51' ' ' ILE . 22.9 m -119.4 173.26 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.93 174.13 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 22' ' ' LEU . 3.3 tm-20 -61.82 -39.87 93.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.3 m-20 -41.35 -41.9 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.404 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 34.8 t80 -38.07 -48.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.56 -46.1 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -58.8 -31.01 68.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -85.43 -60.52 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -44.94 -33.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' HE3' ' A' ' 32' ' ' MET . 6.7 p -80.67 -38.58 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -131.44 70.56 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -170.52 121.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -87.15 43.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -110.17 143.33 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 92' ' ' GLU . 2.5 m -65.16 142.46 58.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.9 mm? -42.25 -60.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -43.18 -38.06 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.2 mm-40 -77.46 -51.05 11.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 22.8 mt -51.04 -49.31 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.3 m-85 -53.08 -54.3 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.37 -28.99 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.2 -4.66 45.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -152.05 35.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.589 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.96 121.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 52' ' ' SER . 28.1 mt -95.08 -26.46 16.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 78.1 p -98.91 170.87 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 2.51 28.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.574 ' CZ2' HG22 ' A' ' 74' ' ' VAL . 16.4 p90 -115.15 -166.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 85.79 66.48 1.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.12 123.63 49.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -168.49 150.48 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -116.81 59.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -128.69 64.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.56 99.78 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.02 83.96 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.96 13.62 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.5 p -156.05 167.4 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.3 m -163.09 115.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.61 119.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -173.06 158.94 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.75 -150.17 19.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.95 120.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -172.1 148.68 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.51 110.07 0.34 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.39 86.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 1.5 mtmt -129.21 99.55 21.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.469 ' CG ' HD22 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' MET . 2.5 mm? -91.36 6.62 44.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.538 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -47.73 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.1 t-20 82.28 54.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -154.41 131.21 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -89.39 127.73 35.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -115.91 136.79 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' ILE . 1.2 tp -115.86 151.61 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 40.9 p -122.94 140.61 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -129.25 131.78 47.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -166.1 51.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -99.66 133.07 44.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.07 165.98 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -49.6 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -86.87 176.47 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -94.12 154.8 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -42.87 -60.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -47.12 -64.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.07 -39.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' CG1' HD13 ' A' ' 33' ' ' ILE . 70.4 t -77.22 -54.97 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -46.89 -28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.98 -51.97 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.41 44.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG21 ' CD1' ' A' ' 16' ' ' ILE . 29.5 mt -55.52 -25.67 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.06 -59.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -49.46 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 10.5 mt -49.83 -43.28 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.32 -10.45 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.83 -158.47 32.12 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.8 mttt -160.77 134.65 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -74.31 145.82 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 47' ' ' ALA . 9.4 t -132.08 166.93 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.9 -38.88 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -86.33 146.23 26.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -84.77 -45.44 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -14.54 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -119.71 44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' CB ' HG23 ' A' ' 41' ' ' THR . . . -134.79 154.93 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -97.11 -29.6 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 75' ' ' VAL . 11.7 tp -150.59 158.06 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 4.7 t -124.13 145.08 49.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.0 mt -128.25 95.13 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.1 t -127.25 -172.01 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 p -108.1 161.51 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -40.77 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -53.84 -51.78 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -48.53 -36.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.98 -26.35 56.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -79.71 -30.85 41.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.5 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.4 mmt 51.6 58.44 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -83.16 167.82 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.42 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 19' ' ' LEU . 21.2 mmtt -52.33 -49.2 64.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.1 tpp -66.46 -31.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -50.7 72.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.83 -35.75 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 40.2 t -75.05 -38.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -66.48 -40.22 89.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.69 -41.95 91.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -86.49 10.48 15.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 11.2 t30 40.06 54.37 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.472 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 86.5 mt -98.76 111.29 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -50.53 127.61 18.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' HG11 ' A' ' 67' ' ' VAL . 3.9 t -100.41 114.93 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.476 ' CB ' ' O ' ' A' ' 97' ' ' HIS . 31.0 m -112.5 168.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.7 173.13 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.94 60.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' GLN . 44.6 m-20 -52.85 -38.16 61.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 59.3 t80 -42.84 -52.81 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 77.2 mt -49.15 -37.56 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -76.19 -25.28 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -82.57 -54.95 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.675 ' CG1' ' CE2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -54.48 -41.72 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.409 ' CB ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.83 -16.58 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 81' ' ' GLN . . . -136.22 59.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.9 t 179.68 134.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.5 p -105.66 35.55 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.47 171.94 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 m -73.48 141.6 46.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 4.0 mm? -52.18 -58.38 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.84 -49.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' LEU . 6.4 mm-40 -59.23 -65.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 68.1 mt -38.18 -54.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 13.4 m-85 -51.67 -48.61 63.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -65.68 -57.85 7.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -15.46 9.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 75' ' ' VAL . 95.2 m-70 -128.89 35.54 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -90.45 123.52 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 79.4 mt -99.14 -21.56 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.81 173.14 6.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 -13.56 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.5 ' CH2' ' HE1' ' A' ' 60' ' ' MET . 12.0 p90 -99.32 -164.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 93.88 64.23 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.543 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -141.79 -171.85 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.9 141.34 58.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' CB ' ' A' ' 71' ' ' ASN . 11.2 p -175.37 156.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.1 166.89 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.59 105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.87 -169.72 19.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.07 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 t -176.61 87.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.3 t 63.68 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.55 134.25 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.13 162.85 34.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.28 -161.99 8.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.09 149.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -170.82 115.18 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.69 -126.54 1.91 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -91.17 86.24 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 1.7 mttt -127.6 92.03 44.08 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' CB ' HD23 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -75.02 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 36' ' ' LEU . 2.7 mm? -79.95 -1.55 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.559 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -49.17 108.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' SER . 33.5 t30 85.12 55.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -165.46 128.61 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.46 121.15 30.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.7 mp -105.34 138.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -108.48 163.14 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.0 p -140.81 148.52 40.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -143.76 145.47 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.56 -148.7 44.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -122.81 125.56 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.53 168.56 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.3 t -49.6 -46.55 49.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -89.23 175.98 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -89.15 150.93 22.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -41.07 -61.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -45.6 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.3 -40.87 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.89 -53.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -48.6 -30.07 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.1 mmm -55.63 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.463 ' CD1' HD12 ' A' ' 40' ' ' LEU . 54.4 mt -40.53 -30.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' MET . 6.8 mt-10 -82.33 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -57.63 -33.87 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CB ' HD22 ' A' ' 11' ' ' LEU . 1.7 mm? -77.44 -9.67 59.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' C ' ' HA ' ' A' ' 12' ' ' SER . . . 108.85 -22.94 24.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -65.7 -162.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -161.22 130.23 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.35 136.33 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.513 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 5.1 t -123.7 170.16 10.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.75 -40.57 2.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 46' ' ' LYS . 3.3 m -80.99 145.27 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -87.37 -45.38 10.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.33 -11.05 48.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' THR . 3.2 tptp -115.93 37.94 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.78 156.23 48.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -93.7 -30.13 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 50' ' ' CYS . 12.0 tp -144.68 159.43 42.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 39.8 t -126.36 135.4 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 108.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.2 mt -119.38 94.13 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -126.46 -171.31 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.7 p -111.05 170.41 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.383 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.51 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -46.83 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 1.1 mm-40 -39.93 -63.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.5 t -48.32 -42.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.5 -25.67 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.32 -30.96 30.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.489 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.9 mmt 51.99 56.38 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' MET . 22.8 t-20 -83.91 167.17 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -44.46 -55.74 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 15.7 mmmt -46.08 -33.27 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.489 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 50.5 tpp -88.14 -24.84 23.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.5 pt-20 -67.92 -37.99 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 69' ' ' GLU . 4.9 mm-40 -65.44 -29.93 70.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.488 ' CG1' ' HB ' ' A' ' 72' ' ' ILE . 91.4 t -81.28 -30.92 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -73.01 -46.47 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 12.6 pt-20 -55.91 -44.61 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -82.67 5.24 21.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 5.9 t30 46.14 55.58 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.488 ' HB ' ' CG1' ' A' ' 67' ' ' VAL . 97.8 mt -99.04 111.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.4 ptp180 -48.35 125.1 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.511 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 5.2 t -99.25 114.36 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 15.5 m -114.25 176.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -173.8 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.61 59.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -42.11 -49.48 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 5.1 t80 -39.17 -37.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.38 -51.89 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ASP . 32.6 tp60 -58.06 -25.08 60.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -84.87 -58.5 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -46.32 -35.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 p -79.45 -37.08 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.84 71.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.3 t -149.89 132.13 15.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.6 p -91.78 8.85 35.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.52 -165.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' GLU . 48.8 m -111.59 150.85 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 10' ' ' PRO . 3.9 mm? -39.85 -56.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.0 -40.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.6 mm-40 -67.46 -68.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' CD1' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -36.13 -54.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 7.6 m-85 -47.07 -57.49 5.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -34.62 75.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.95 1.02 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' PHE . 87.0 m-70 -151.71 30.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -83.72 122.66 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 52' ' ' SER . 81.9 mt -100.4 -18.45 16.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -112.97 162.05 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -19.86 21.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 10.6 p90 -91.28 -162.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' TRP . . . 90.27 65.77 1.21 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.62 -171.24 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 0.724 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.3 129.37 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' LYS . 12.4 p -173.47 171.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -40.61 -63.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 39.08 78.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 38.44 -144.78 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.74 136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t 59.84 151.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 9.0 mtmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.9 mm? -67.7 -9.89 47.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -38.04 106.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t-20 81.98 54.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.428 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 48.7 mtp -155.76 128.12 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 16' ' ' ILE . 22.2 mttt -91.24 108.5 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -96.21 139.4 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.3 tp -113.64 151.2 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 40' ' ' LEU . 71.0 p -129.94 147.68 51.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.2 mt -140.6 172.46 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 47.43 -147.8 3.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -118.86 130.56 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.22 172.7 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -94.16 177.96 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.1 t30 -92.24 162.11 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -42.5 62.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.74 -62.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -43.04 -36.29 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' ASN . 85.9 t -80.51 -52.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.21 -33.84 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.37 -51.52 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.2 mmm -54.06 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.744 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.1 mt -45.76 -28.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -33.34 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.868 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.48 -34.13 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HG3' ' A' ' 35' ' ' LYS . 2.2 mm? -75.11 -13.66 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.02 -15.98 25.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.67 -161.3 8.25 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -161.25 129.21 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.744 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.95 138.01 42.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -128.79 169.58 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.99 -32.55 4.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.44 ' O ' HD13 ' A' ' 17' ' ' LEU . 53.6 m -86.88 139.66 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.55 -43.55 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -17.16 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -116.56 45.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.08 158.43 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -107.06 -28.53 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.042 HD11 ' CE1' ' A' ' 94' ' ' PHE . 5.3 mt -133.59 170.13 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.6 t -145.09 120.9 10.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.333 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 80' ' ' LEU . 32.6 mt -108.77 95.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.43 -172.11 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -113.5 156.26 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -44.74 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -50.87 64.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.532 ' OE2' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.71 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.4 -27.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.18 -38.77 50.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.62 -49.55 77.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.48 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 62.65 39.37 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -69.41 -173.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -40.33 86.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.81 -60.66 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.48 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 53.4 tpp -58.31 -28.53 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -45.99 92.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.6 mm-40 -54.3 -38.68 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.741 HG13 ' HB ' ' A' ' 72' ' ' ILE . 31.7 t -68.89 -40.02 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 42.7 tttm -68.31 -32.65 72.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.37 -44.33 71.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.47 8.72 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 42.69 64.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.741 ' HB ' HG13 ' A' ' 67' ' ' VAL . 56.7 mt -110.97 115.85 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 3.9 ptm180 -57.01 127.99 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 67' ' ' VAL . 13.1 t -98.94 126.84 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 23.6 m -119.92 173.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 p -87.8 179.49 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -32.73 60.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.24 -25.87 4.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.64 -44.63 81.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' ILE . 34.4 mt -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.77 -21.6 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -93.02 -55.14 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -44.13 -30.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -35.58 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -123.61 61.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -168.6 125.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.6 p -94.19 40.24 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 155.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 m -72.19 141.39 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.4 mm? -44.12 -60.51 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -41.0 -49.09 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.7 mm-40 -66.74 -53.38 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 93' ' ' LEU . 23.3 mt -47.28 -49.25 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.042 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.2 m-30 -54.14 -53.44 53.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.91 -27.51 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.12 -9.74 58.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.3 m-70 -149.7 39.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.45 121.51 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.8 mt -95.59 -27.18 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.0 p -101.18 167.87 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.01 -14.41 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -99.57 -164.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.045 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.475 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CB ' ' CB ' ' A' ' 12' ' ' SER . 4.2 mttt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.702 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 -15.11 20.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' ASN . 13.1 mt -113.18 -5.8 13.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -41.52 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.8 t-20 87.45 51.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.71 131.39 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.743 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.6 mttp -90.48 131.34 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.841 HD13 ' CG2' ' A' ' 33' ' ' ILE . 2.0 mp -116.35 143.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.2 tp -119.14 152.03 37.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -126.5 144.96 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.3 mt -134.89 155.94 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.16 -163.63 3.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -97.26 144.4 27.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 12.3 mt -121.78 174.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -64.78 -44.05 91.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 178.81 5.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -95.02 143.53 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -40.69 -42.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.26 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -40.52 -42.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.656 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.5 t -73.97 -53.61 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -45.09 -41.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.54 -40.31 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.12 -53.06 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 16' ' ' ILE . 27.0 mt -57.74 -27.45 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.98 -52.29 6.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -47.04 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 15.2 mt -54.82 -41.06 70.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.65 -9.41 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -82.53 -157.28 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.87 126.88 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.823 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.43 136.9 42.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -130.16 169.08 15.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -103.65 -31.34 4.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.431 ' O ' HD13 ' A' ' 17' ' ' LEU . 29.5 m -88.12 144.08 26.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' CB ' ' HG3' ' A' ' 66' ' ' GLU . . . -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -24.18 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -110.25 46.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 160.92 39.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -113.62 -27.95 7.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.1 tp -132.87 164.08 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 5.8 t -143.65 120.04 10.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.73 95.99 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.601 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -125.58 -172.64 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -111.48 153.43 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -51.15 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -52.93 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.766 ' OE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.5 -67.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' MET . 55.3 t -43.47 -40.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -57.78 -46.77 84.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 63.46 34.42 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' MET . 63.9 t30 -67.61 170.75 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -47.52 -53.46 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.855 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.1 mmtp -51.84 -25.57 8.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.756 ' HE1' HD13 ' A' ' 19' ' ' LEU . 52.8 tpp -92.0 -34.28 14.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.4 mm-40 -63.73 -42.09 97.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG3' ' CB ' ' A' ' 44' ' ' ALA . 14.3 pt-20 -56.74 -39.82 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.567 HG13 ' HB ' ' A' ' 72' ' ' ILE . 42.6 t -69.92 -36.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 29.7 tttm -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.46 -46.67 88.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.31 2.79 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t30 46.59 63.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.567 ' HB ' HG13 ' A' ' 67' ' ' VAL . 25.3 mt -106.61 108.49 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.439 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 7.9 ptp85 -49.18 126.52 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 23.0 t -97.72 132.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -128.51 172.3 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 p -87.67 -177.98 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -36.21 57.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -49.62 -27.53 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -49.61 -49.65 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 83' ' ' VAL . 54.6 mt -59.35 -38.52 80.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 10.8 tp60 -63.81 -25.61 68.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -93.61 -55.26 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -52.02 -35.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HD21 ' A' ' 36' ' ' LEU . 8.1 t -81.6 -30.38 32.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -131.62 67.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.7 t -179.45 123.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.6 p -90.34 46.35 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.71 154.7 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 m -67.86 135.37 52.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.5 mm? -43.05 -63.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -44.79 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.87 -59.02 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 50.3 mt -44.77 -48.7 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.9 m-30 -53.17 -55.92 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -27.12 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.79 -11.0 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 96.0 m-70 -148.63 44.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.92 121.58 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' SER . 26.5 mt -95.1 -27.36 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.1 p -101.72 165.12 11.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.0 -15.48 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -95.65 -170.85 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.4 mtmt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.606 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.0 -22.75 14.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASN . 18.0 mt -105.57 -5.74 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -39.48 94.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 12' ' ' SER . 11.2 t-20 86.86 49.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.4 mmm -144.31 124.93 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -88.26 107.88 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.753 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -95.07 140.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -111.26 161.26 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.3 p -138.38 152.2 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.953 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.1 mt -144.66 161.12 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.08 -146.56 39.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 140.23 53.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.74 178.74 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -41.21 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -90.87 -178.18 5.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -98.59 148.5 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -44.62 -33.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -64.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.18 -34.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 80' ' ' LEU . 91.0 t -83.02 -50.63 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -50.97 -29.77 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.47 35.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 0.8 OUTLIER -60.32 -56.24 23.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.691 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.4 mt -53.49 -27.78 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.17 -52.56 6.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.38 66.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mt -57.34 -39.78 76.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.57 -12.97 3.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -79.27 -158.65 14.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.98 128.23 3.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.7 135.21 41.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.685 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -125.12 170.04 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.66 -36.59 5.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 3.1 m -80.38 168.2 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -107.27 -46.46 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.34 -19.04 53.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -107.06 40.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -142.31 151.66 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 33.0 t -97.28 -30.61 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 79' ' ' PHE . 5.9 tp -128.37 160.41 32.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.7 t -136.32 110.59 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.4 mt -95.78 96.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.718 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.3 t -129.37 -172.37 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.4 p -113.73 157.84 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.25 -51.02 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -46.98 -59.79 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -45.76 -61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' THR . 26.0 t -48.94 -34.99 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.04 -28.79 61.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -76.44 -38.58 55.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.0 mmt 57.43 54.15 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 9.4 t30 -74.25 174.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -53.08 -43.73 66.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.953 ' CB ' HD21 ' A' ' 19' ' ' LEU . 14.1 mmtt -56.09 -56.83 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.9 tpp -62.48 -19.05 63.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -78.04 -29.61 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -69.6 -24.95 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.76 -26.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 36.2 tttm -71.72 -20.87 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.7 mm-40 -85.07 -41.49 15.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 9.73 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t30 43.85 61.09 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 46.3 mt -104.65 104.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -45.53 131.42 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 8.6 t -100.53 128.59 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -124.74 172.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.29 177.55 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -14.28 61.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -70.83 -17.47 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.6 t80 -65.26 -41.62 94.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 33.3 tp60 -62.03 -30.91 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.68 -54.98 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -51.77 -28.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 32' ' ' MET . 8.7 t -91.51 -30.94 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -128.16 62.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.2 t -172.3 123.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.5 p -90.22 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -106.46 163.58 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 m -77.45 141.48 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.013 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 mm? -45.01 -59.99 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -48.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.52 -57.34 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 28.0 mt -43.84 -50.34 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.013 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 23.0 m-30 -52.05 -55.17 22.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.86 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 79.7 m-70 -147.08 40.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -90.49 121.88 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 52' ' ' SER . 22.9 mt -94.41 -28.58 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 12.2 p -102.32 177.01 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.88 -14.98 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.408 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 14.4 p90 -94.64 -168.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.453 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.6 mtmt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.725 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -74.99 -40.63 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.724 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.8 mm? -80.16 -21.95 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -33.22 107.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 81.67 55.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.589 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.8 mtp -158.98 125.66 4.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -89.49 106.15 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.901 HD13 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -97.31 133.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -111.03 150.88 28.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.426 ' CG2' HD11 ' A' ' 40' ' ' LEU . 75.5 p -125.42 150.75 46.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.862 HD21 ' CB ' ' A' ' 63' ' ' LYS . 2.4 mt -136.68 174.51 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.19 -149.12 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 126.56 48.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 172.27 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -42.84 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -92.39 174.6 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.94 151.29 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -59.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -47.69 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.18 -40.23 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.43 -52.19 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -35.11 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.76 -46.57 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -62.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 16' ' ' ILE . 41.9 mt -49.14 -37.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.48 -30.68 61.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.74 -45.99 66.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.6 mm? -63.77 -11.55 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.42 -11.09 36.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.97 -159.24 8.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.8 mttt -162.64 127.99 3.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.41 137.71 42.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -123.75 169.83 11.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -105.19 -37.15 2.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -86.56 136.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -75.14 -55.99 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -45.72 -38.03 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -96.42 45.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -137.14 156.71 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.9 m -105.77 -31.07 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.5 mt -136.23 169.08 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.9 t -143.87 126.59 16.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.9 mt -114.1 95.06 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -126.73 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -111.65 158.72 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -45.83 -56.35 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -41.6 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 2.4 mm-40 -38.0 -64.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 24.5 t -49.03 -40.65 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.6 mt-10 -69.24 -24.9 64.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 5.8 mmtt -78.74 -32.75 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.7 mmt 55.56 34.48 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.41 173.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.93 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.862 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.5 mmtt -54.14 -53.58 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 35.1 tpp -65.01 -18.98 65.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.97 -30.72 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 1.5 mm-40 -68.86 -23.58 64.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -93.08 -25.53 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -72.57 -19.39 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.56 11.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.04 6.86 20.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 47.95 61.89 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.3 mt -104.85 90.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -37.02 129.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 67' ' ' VAL . 3.4 t -100.71 118.41 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 19.8 m -114.92 171.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t -88.03 -176.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.66 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -48.55 -30.12 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.36 -46.14 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HA ' HG12 ' A' ' 83' ' ' VAL . 31.3 mt -59.86 -38.61 82.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -66.04 -38.36 88.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.47 ' CA ' ' HB2' ' A' ' 86' ' ' SER . 0.3 OUTLIER -76.91 -56.24 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -49.53 -25.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.592 ' HA ' HD11 ' A' ' 36' ' ' LEU . 8.9 t -87.98 -31.77 19.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -148.15 75.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB2' ' CA ' ' A' ' 82' ' ' ASP . 16.7 t -151.29 146.01 25.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.638 ' O ' HG23 ' A' ' 87' ' ' THR . 6.5 t -105.48 42.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -126.27 155.8 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -69.68 150.88 46.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -49.41 -54.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -50.95 -51.55 51.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.44 -44.94 92.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 88' ' ' LYS . 54.6 mt -53.85 -48.68 69.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 49' ' ' LEU . 21.7 m-30 -53.96 -54.28 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -28.47 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.94 -6.89 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 93.9 m-70 -151.35 37.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.649 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.43 121.52 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' SER . 44.4 mt -96.23 -22.49 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -104.09 170.08 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.53 -3.67 23.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.2 p90 -107.92 -163.69 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.8 mtmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.766 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -17.83 19.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.3 mm? -107.35 1.66 23.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -47.82 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.9 t-20 88.23 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -154.88 131.76 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.3 mttp -92.88 128.41 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.812 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.2 mp -117.51 137.71 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -113.54 150.55 32.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.1 p -128.39 151.6 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.3 mt -140.94 175.29 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.39 -150.54 3.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -118.15 131.08 56.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.15 166.62 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -51.81 -46.48 64.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -91.41 178.13 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -92.68 153.49 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -44.28 -59.93 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -47.01 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.03 -42.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.53 HG12 ' CD1' ' A' ' 33' ' ' ILE . 77.7 t -73.99 -55.01 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -45.17 -31.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.72 -47.01 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.825 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.2 mmm -60.31 -47.15 87.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' A' ' 40' ' ' LEU . 74.4 mt -59.84 -35.22 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.68 -40.48 33.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -28.88 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.825 HD11 ' HE3' ' A' ' 32' ' ' MET . 44.7 mt -83.8 7.52 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -16.94 56.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -70.19 -164.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -163.27 123.32 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.47 136.66 42.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -127.78 169.15 14.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -100.96 -41.45 2.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 85.8 m -80.54 145.73 31.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.425 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -88.09 -48.28 7.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 43' ' ' THR . 2.3 p-10 -58.36 -17.11 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -115.22 43.43 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.02 162.78 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -105.88 -26.35 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 50' ' ' CYS . 13.4 tp -152.83 160.55 43.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' LEU . 13.0 t -127.29 139.39 52.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 16' ' ' ILE . 57.0 mt -126.13 95.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.815 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -130.31 -172.2 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 20.1 p -111.4 157.76 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.96 -57.81 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.7 mm-40 -41.81 -68.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 74' ' ' VAL . 95.5 t -46.65 -32.89 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.93 -37.61 70.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.51 -48.47 81.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.546 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 63.14 38.07 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 63' ' ' LYS . 5.7 p30 -70.25 -169.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -61.53 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.822 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.48 -54.26 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.562 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 46.2 tpp -62.6 -38.01 88.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -54.67 -47.51 73.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -51.28 -38.9 55.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.823 HG13 ' HB ' ' A' ' 72' ' ' ILE . 30.1 t -68.16 -39.55 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -65.66 -41.27 92.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.15 -41.07 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.47 9.16 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.1 t30 40.01 54.81 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.823 ' HB ' HG13 ' A' ' 67' ' ' VAL . 77.8 mt -98.84 119.54 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -54.41 135.36 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 57' ' ' VAL . 4.0 t -109.58 114.92 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 94' ' ' PHE . 32.1 m -112.05 168.87 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -90.68 170.85 9.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -17.43 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.51 -28.43 69.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 9.1 t80 -59.66 -46.48 88.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.4 mt -54.92 -50.48 68.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.3 -27.57 64.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.634 ' CG ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.85 -56.9 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.766 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.4 -28.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -86.66 -30.22 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -128.91 62.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -164.88 151.27 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.3 p -123.38 32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -99.14 174.3 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -78.92 144.96 34.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.9 mm? -51.51 -58.97 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -40.42 -56.16 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.02 -53.81 52.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.634 HD22 ' CG ' ' A' ' 82' ' ' ASP . 22.0 mt -47.42 -58.81 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 22.1 m-85 -48.04 -47.45 33.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.825 ' C ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.68 -59.25 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.94 -18.38 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 38.7 m80 -129.43 41.78 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -94.69 123.18 46.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 52' ' ' SER . 16.9 mt -96.78 -17.34 20.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 p -109.85 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -5.56 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.1 p90 -109.16 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.1 mttt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.577 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.03 -15.2 20.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 12' ' ' SER . 38.0 mt -109.59 -16.13 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -31.89 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.2 t30 87.27 54.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 49.8 mtp -159.2 127.03 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -92.08 110.82 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.4 mp -95.18 136.76 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 18' ' ' THR . 1.6 tm? -114.37 161.79 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.2 p -135.96 144.42 45.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -136.58 124.5 22.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.57 -164.58 37.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.3 133.95 45.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.05 165.96 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -49.5 -46.18 47.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -89.93 179.06 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -92.69 152.49 19.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -43.38 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.18 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -42.03 -35.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.11 -51.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -51.4 -27.63 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.39 -51.2 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.591 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -53.56 -56.5 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.951 HD12 HD12 ' A' ' 40' ' ' LEU . 78.6 mt -49.89 -34.81 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -78.79 -44.38 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -61.85 -29.66 70.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 ' HE3' ' A' ' 32' ' ' MET . 37.2 mt -83.31 7.98 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.95 -10.89 59.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.45 -169.84 22.78 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -150.67 134.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.951 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -86.11 139.45 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.834 HG23 HD23 ' A' ' 17' ' ' LEU . 3.9 t -124.86 167.14 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 -43.25 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -80.45 158.84 25.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -95.73 -44.3 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.94 -33.76 73.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -96.1 38.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.19 158.78 37.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -101.18 -28.27 12.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD22 ' HE1' ' A' ' 94' ' ' PHE . 8.5 tp -149.14 156.81 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 35.5 t -121.8 143.44 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 16' ' ' ILE . 49.6 mt -128.03 94.94 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.81 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -129.82 -172.1 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 p -109.0 161.86 14.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.15 -54.44 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -49.43 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -53.1 -68.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' HG11 ' A' ' 74' ' ' VAL . 52.1 t -46.49 -25.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-10 -77.79 -41.02 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -57.51 -37.73 73.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.567 ' HE1' ' HD2' ' A' ' 68' ' ' LYS . 2.1 mmt 52.34 53.58 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.15 175.41 8.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -47.69 -41.36 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.864 ' CB ' HD21 ' A' ' 19' ' ' LEU . 13.2 mmtt -58.19 -52.9 63.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.2 tpp -65.03 -24.56 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 -49.9 69.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 5.1 mm-40 -51.97 -34.57 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.752 HG13 ' HB ' ' A' ' 72' ' ' ILE . 36.1 t -75.77 -40.25 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 9.4 tttt -65.63 -42.55 91.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.02 -42.78 99.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.21 8.39 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 t30 42.1 54.9 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.752 ' HB ' HG13 ' A' ' 67' ' ' VAL . 85.0 mt -99.82 115.48 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -54.37 121.52 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 67' ' ' VAL . 4.0 t -93.74 114.37 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 18.1 m -113.71 172.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -173.31 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -23.3 38.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 67.1 m-20 -52.6 -40.89 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 t80 -43.26 -42.29 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.56 ' HA ' HG12 ' A' ' 83' ' ' VAL . 63.2 mt -64.26 -40.1 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 6.2 tp60 -68.09 -34.8 77.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -79.47 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 80' ' ' LEU . 4.4 p -45.97 -33.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -81.09 -37.99 28.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.14 72.66 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.2 t -145.28 134.03 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 p -86.29 13.64 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.36 -165.78 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 17.0 m -116.11 152.79 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 10' ' ' PRO . 4.2 mm? -38.09 -56.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.04 -47.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 96' ' ' ALA . 27.2 mm-40 -59.23 -66.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -41.22 -60.01 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 49' ' ' LEU . 9.6 m-85 -41.32 -30.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 92' ' ' GLU . 8.6 mt -98.17 -35.82 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.94 2.02 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 99.5 m-70 -145.14 22.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.636 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -74.89 123.21 30.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 52' ' ' SER . 14.2 mt -102.0 -19.54 15.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -110.79 177.05 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -16.62 14.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 9.7 p90 -96.07 -166.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.535 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -20.85 16.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -111.48 2.56 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -40.14 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 12' ' ' SER . 17.7 t30 88.45 51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.711 ' O ' HD12 ' A' ' 16' ' ' ILE . 2.6 mmm -143.89 123.35 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -82.97 107.09 15.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.863 HD13 HG23 ' A' ' 33' ' ' ILE . 3.9 mp -95.29 132.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.711 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -104.77 159.41 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.699 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.9 p -139.43 153.95 47.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.6 mt -144.98 173.11 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 41.18 -147.54 0.34 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG21 ' A' ' 53' ' ' THR . 22.8 tptm -116.93 137.88 51.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.74 166.77 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -48.52 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -86.6 174.42 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' LYS . 88.9 m-20 -87.43 143.73 27.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.0 tttt -40.05 -51.59 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.3 -64.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.64 -43.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.433 HG12 ' CD1' ' A' ' 33' ' ' ILE . 71.4 t -72.58 -54.73 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -43.75 -43.18 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.97 73.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.97 -47.4 85.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.88 ' CD1' HD12 ' A' ' 40' ' ' LEU . 77.4 mt -60.3 -34.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.42 -43.32 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -29.0 70.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD12 HD22 ' A' ' 80' ' ' LEU . 48.2 mt -82.67 5.57 20.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.06 -14.35 60.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.18 -165.84 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -157.34 133.88 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.88 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.41 135.41 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.711 HG23 HD23 ' A' ' 17' ' ' LEU . 8.5 t -127.53 169.7 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.06 -37.78 4.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 44' ' ' ALA . 92.9 m -78.92 167.54 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -106.77 -50.03 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.12 -17.16 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -108.18 38.59 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -140.88 151.65 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -94.95 -31.95 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.5 tp -127.7 163.35 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 67' ' ' VAL . 42.3 t -138.94 110.59 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.249 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.3 mt -98.79 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.576 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -128.45 -172.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 21' ' ' LYS . 55.5 p -110.15 154.89 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' LYS . 1.2 tppt? -48.33 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -39.17 -66.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.2 OUTLIER -39.37 -60.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 53' ' ' THR . 12.0 t -49.96 -39.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.8 mt-10 -74.26 -23.29 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -82.68 -39.68 21.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.621 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 58.54 58.78 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -84.21 164.16 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -48.59 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -51.73 -59.28 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.621 ' HG3' ' HE2' ' A' ' 60' ' ' MET . 54.4 tpp -58.43 -37.03 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -46.41 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.6 -41.72 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.756 HG13 ' HB ' ' A' ' 72' ' ' ILE . 39.5 t -66.99 -37.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 40.9 tttm -69.06 -34.65 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.5 -45.74 82.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.22 8.48 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 42.99 58.77 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.756 ' HB ' HG13 ' A' ' 67' ' ' VAL . 57.1 mt -102.68 111.68 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD2' ' A' ' 94' ' ' PHE . 8.8 ptp85 -50.6 126.05 14.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.47 HG22 HG11 ' A' ' 67' ' ' VAL . 15.0 t -96.2 127.35 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -124.58 171.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.36 -177.71 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -33.62 64.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -35.82 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -45.13 -50.84 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.677 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -56.39 -45.51 80.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -57.1 -22.61 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.617 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -94.76 -53.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.677 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -56.59 -24.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.535 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.1 t -91.12 -19.17 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.82 64.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 41.7 t -153.35 141.49 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -110.57 45.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -129.11 -163.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -96.29 161.45 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.749 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.1 mm? -60.57 -47.37 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.53 -60.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.19 -40.42 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 92' ' ' GLU . 80.6 mt -67.19 -42.71 83.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.749 ' CE1' HD12 ' A' ' 90' ' ' LEU . 18.4 m-30 -61.25 -53.17 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -29.02 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' GLU . . . -78.07 0.07 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 96' ' ' ALA . 96.5 m-70 -158.05 35.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.1 122.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' SER . 27.7 mt -96.05 -27.24 15.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 84.6 p -103.52 168.52 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.24 -12.69 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 9.1 p90 -99.93 -167.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.443 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.533 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.9 mtmt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.688 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 36' ' ' LEU . 23.8 mt -66.76 -13.7 61.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.595 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -42.58 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 91.0 44.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -151.77 121.89 7.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.639 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -83.89 126.03 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.9 mp -107.98 136.38 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -112.32 161.15 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.725 ' N ' HD13 ' A' ' 17' ' ' LEU . 51.9 p -137.04 145.65 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -131.42 161.97 31.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.712 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 56.91 -141.17 43.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.5 122.69 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -93.56 171.0 9.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -45.04 95.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -84.48 174.23 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -90.05 146.66 24.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.32 -48.91 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -55.34 -65.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.14 -37.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.49 -53.97 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -47.03 -33.08 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.95 -49.19 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -52.14 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.697 HD12 HD12 ' A' ' 40' ' ' LEU . 50.0 mt -59.76 -34.56 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.83 -27.9 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.808 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.22 -50.36 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.2 mm? -56.14 -21.59 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 -6.05 18.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.05 -162.2 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 128.53 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.697 HD12 HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -74.38 139.0 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 17' ' ' LEU . 4.8 t -125.6 169.39 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.41 -43.82 2.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.589 HG21 ' CD ' ' A' ' 46' ' ' LYS . 6.2 m -78.69 159.53 27.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -96.8 -40.61 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -64.14 -32.89 74.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CD ' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -95.58 36.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.97 161.17 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -103.69 -27.36 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.5 tp -148.36 161.33 41.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.657 ' H ' HD12 ' A' ' 49' ' ' LEU . 9.5 t -126.63 142.24 51.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -126.4 94.99 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.753 ' O ' HD12 ' A' ' 99' ' ' LEU . 7.6 t -127.33 -172.13 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 67.1 p -115.22 161.24 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -48.16 -54.07 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.43 -66.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -39.18 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.11 -56.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.3 -24.51 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.3 ptpt -78.5 -39.69 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.1 mmt 57.5 53.15 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -86.19 174.81 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -47.77 -56.01 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.32 -43.41 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.918 ' HE1' HD13 ' A' ' 19' ' ' LEU . 40.3 tpp -75.67 -23.23 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -68.89 -42.8 76.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 9.8 mm-40 -59.61 -29.36 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.771 HG13 ' HB ' ' A' ' 72' ' ' ILE . 60.8 t -82.81 -34.57 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -71.01 -46.17 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 18.5 pt-20 -56.67 -42.87 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -86.65 7.16 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 t30 44.67 53.35 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.771 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.6 mt -95.6 118.16 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.487 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.22 127.81 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 67' ' ' VAL . 9.4 t -102.75 115.04 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 49' ' ' LEU . 21.4 m -114.8 173.54 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -94.1 176.93 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -8.88 57.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -76.91 -9.73 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -74.71 -34.92 62.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' HG12 ' A' ' 83' ' ' VAL . 18.1 mt -67.05 -53.18 33.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.631 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 7.0 pt20 -60.37 -17.87 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -92.75 -43.7 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -63.75 -15.57 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.65 -6.1 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -138.38 36.54 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.0 t -151.73 140.31 20.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -112.45 30.6 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -93.55 -177.71 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -82.19 131.97 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.858 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -40.29 -51.84 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.81 -45.52 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.7 mm-40 -65.82 -41.69 91.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 93' ' ' LEU . 17.1 mt -57.8 -50.42 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.858 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 22.2 m-85 -53.25 -54.21 39.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.01 -28.03 69.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.46 -5.03 45.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -153.25 35.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.21 121.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 52' ' ' SER . 54.5 mt -94.3 -20.19 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.7 p -102.95 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.97 6.68 15.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -123.74 -166.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.3 mtmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -24.55 12.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.2 mm? -106.59 8.36 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -48.66 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' SER . 3.1 t-20 84.57 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.407 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -149.66 123.58 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.7 mtmt -86.67 126.79 34.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 33' ' ' ILE . 2.8 mp -105.98 144.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 41' ' ' THR . 1.4 tm? -117.18 158.18 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 52.5 p -136.99 142.15 42.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -137.68 126.18 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.26 -142.85 16.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -127.62 147.66 50.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.65 HD13 ' HG3' ' A' ' 77' ' ' GLU . 10.0 mt -125.08 -179.44 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 t -66.99 -41.52 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -90.12 178.52 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 79.5 m-20 -96.7 142.82 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ASN . 6.1 ttpt -39.98 -38.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.29 -39.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.902 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.4 t -76.6 -54.44 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -46.23 -24.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -84.7 -64.32 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.853 ' SD ' HD13 ' A' ' 80' ' ' LEU . 7.8 ptm -45.84 -42.87 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.902 ' CD1' HG12 ' A' ' 29' ' ' VAL . 85.2 mt -61.87 -33.91 60.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.1 mt-10 -79.67 -34.41 40.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.99 -33.1 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 11' ' ' LEU . 73.1 mt -69.53 -15.0 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' CA ' ' HD2' ' A' ' 9' ' ' LYS . . . 110.75 -9.04 29.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.68 -158.16 33.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -163.27 140.35 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.15 135.65 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -125.03 169.41 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.42 -48.08 1.74 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -81.29 149.12 29.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 0.774 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -85.88 -36.8 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -21.04 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.66 42.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.85 159.38 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 m -100.27 -28.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' H ' ' A' ' 50' ' ' CYS . 15.8 tp -149.33 162.28 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.621 ' H ' HD12 ' A' ' 49' ' ' LEU . 43.4 t -126.15 145.1 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.5 mt -130.23 93.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.662 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -129.07 -171.57 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 22.1 p -111.09 175.16 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -54.48 -55.52 28.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.618 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -51.83 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG22 HG11 ' A' ' 74' ' ' VAL . 98.8 t -47.29 -32.28 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.21 -35.96 74.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.56 -47.91 76.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 63.67 35.49 11.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.7 t30 -67.39 -166.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -64.27 -57.63 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.731 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.51 -27.11 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.618 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 47.1 tpp -95.88 -20.32 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 3.1 pt-20 -72.73 -36.85 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.63 -38.51 91.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.868 HG13 ' HB ' ' A' ' 72' ' ' ILE . 57.7 t -67.16 -35.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -70.28 -30.06 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -73.56 -41.69 62.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.63 13.86 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 7.5 t30 39.55 49.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.868 ' HB ' HG13 ' A' ' 67' ' ' VAL . 81.4 mt -92.48 106.81 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 49' ' ' LEU . 8.2 ptp85 -47.69 130.13 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.542 HG11 HG22 ' A' ' 57' ' ' VAL . 11.0 t -102.01 116.21 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 97' ' ' HIS . 20.9 m -112.21 173.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -97.02 177.85 5.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.65 ' HG3' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -71.92 -11.17 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.33 -14.5 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 14.9 t80 -72.6 -44.09 62.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.853 HD13 ' SD ' ' A' ' 32' ' ' MET . 22.2 mt -63.18 -52.21 63.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -53.99 -19.62 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -96.83 -57.07 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG1' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.83 -35.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.494 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.4 p -79.84 -29.79 40.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -136.11 70.53 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 13.1 t -169.31 143.16 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 87' ' ' THR . 5.4 t -108.05 39.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.74 163.29 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.7 m -77.13 145.8 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.699 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.7 mm? -46.34 -58.72 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -40.71 -62.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.81 -52.08 63.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.65 -52.52 17.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -55.29 -52.77 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 98' ' ' ILE . 8.5 mp -59.32 -45.7 90.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -13.02 46.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.544 ' O ' HG12 ' A' ' 75' ' ' VAL . 68.7 m-70 -140.84 42.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -97.4 121.42 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' SER . 45.6 mt -95.36 -27.42 15.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.2 p -98.11 169.54 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.53 -8.92 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 13.9 p90 -104.23 -163.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.8 mtmm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -33.4 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD21 HG11 ' A' ' 83' ' ' VAL . 1.3 mm? -96.04 0.94 52.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -45.75 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.1 t-20 83.07 53.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 89.6 mtp -153.93 124.71 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 42.5 mtmt -84.96 122.81 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.783 HD13 HG23 ' A' ' 33' ' ' ILE . 2.5 mp -106.28 135.18 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.901 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -108.55 162.17 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.8 p -138.62 148.04 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.768 HD13 ' HE1' ' A' ' 64' ' ' MET . 0.3 OUTLIER -140.52 151.43 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.94 -157.29 51.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 119.62 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.42 173.17 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -59.81 -45.48 92.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -84.53 -178.86 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 1.4 p30 -106.37 145.36 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -39.91 -35.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -61.73 -62.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 4.1 mm-40 -46.3 -54.49 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.927 HG12 ' CD1' ' A' ' 33' ' ' ILE . 83.9 t -63.05 -41.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 12.9 tttt -58.26 -32.13 68.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.28 -44.83 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.661 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 mmm -60.74 -36.2 78.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.927 ' CD1' HG12 ' A' ' 29' ' ' VAL . 29.8 mt -74.39 -25.34 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.86 -55.73 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -46.59 63.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 32' ' ' MET . 23.7 mt -54.51 -41.79 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.18 -10.82 3.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -84.93 -160.05 31.83 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -160.31 129.0 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.762 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.59 137.85 42.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.901 HG23 HD23 ' A' ' 17' ' ' LEU . 4.2 t -127.02 169.32 13.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.2 -44.08 2.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.585 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.7 m -76.03 165.5 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -99.9 -47.15 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.92 -35.55 75.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -91.93 37.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.52 155.95 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -103.95 -31.37 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.6 tp -130.61 162.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.3 t -137.81 123.69 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.77 95.12 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.8 t -126.84 -171.63 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . 44.3 p -115.6 158.39 22.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -56.31 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.4 mttp -41.36 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CD ' HD22 ' A' ' 19' ' ' LEU . 1.7 mm-40 -36.72 -65.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' THR . 21.6 t -45.79 -54.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.09 -26.5 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmtt -80.24 -29.07 38.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 52.26 33.24 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.69 173.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 11.8 mttt -53.84 -51.53 63.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -48.14 -28.45 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.768 ' HE1' HD13 ' A' ' 19' ' ' LEU . 38.1 tpp -95.41 -19.93 19.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 2.7 pt-20 -78.0 -33.7 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -91.08 -26.69 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -71.43 -20.5 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 2.0 mm-40 -86.85 -37.81 17.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.71 11.12 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t30 44.05 60.09 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' A' ' 67' ' ' VAL . 57.8 mt -107.82 108.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -52.59 132.49 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.5 t -103.37 114.83 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 16.7 m -112.27 172.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HD11 ' A' ' 99' ' ' LEU . 13.6 p -84.29 -173.92 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -46.63 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -41.36 -33.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.16 -35.45 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 29' ' ' VAL . 41.1 mt -67.08 -56.83 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -54.2 -19.53 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -93.34 -45.67 7.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.09 -16.92 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.544 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.9 t -106.31 2.25 26.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.77 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 4.9 t -169.87 126.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 p -89.12 42.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.66 143.44 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 m -63.55 135.47 56.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.0 mm? -40.22 -62.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.93 -43.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.8 mm-40 -71.05 -54.1 12.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -47.85 -47.32 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.8 m-30 -55.06 -54.48 42.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -28.1 68.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.66 -7.21 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 90.8 m-70 -150.57 37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.64 121.52 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 52' ' ' SER . 95.9 mt -95.88 -27.3 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.538 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 76.7 p -96.83 173.66 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 0.11 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 30.0 p90 -113.13 -163.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.019 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.4 mttt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.595 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -37.02 2.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 83' ' ' VAL . 2.1 mm? -84.34 -22.63 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.524 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -31.08 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' SER . 5.5 t-20 83.23 54.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 50.6 mtp -158.4 128.3 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.26 19.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.723 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.1 mp -95.55 139.96 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -122.1 151.56 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.872 HG21 HG11 ' A' ' 29' ' ' VAL . 41.4 p -124.98 141.26 52.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' C ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -126.05 165.68 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.76 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 54.14 -158.56 5.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.35 124.56 51.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.99 172.17 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -43.32 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.39 176.6 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 2.3 p30 -105.77 152.83 22.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -40.63 -47.32 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -52.97 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 3.6 mm-40 -45.0 -55.82 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 18' ' ' THR . 90.4 t -59.97 -39.89 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LYS . 11.1 tttt -62.63 -35.6 80.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -57.71 -67.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.677 HG23 HD13 ' A' ' 16' ' ' ILE . 20.1 mt -45.71 -30.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.15 -39.89 39.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.832 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -61.24 -49.51 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.832 HD22 ' HD2' ' A' ' 35' ' ' LYS . 2.2 mm? -55.14 -39.79 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.88 -8.23 4.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.81 -162.14 33.2 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -154.98 131.57 10.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -75.03 140.55 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -123.96 169.8 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.83 -46.59 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.419 1.074 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -77.82 142.46 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -82.87 -38.65 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.12 -18.59 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.26 44.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.35 160.28 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.3 m -111.49 -29.37 7.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.5 tp -130.91 160.97 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 67' ' ' VAL . 37.1 t -143.11 118.12 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 75' ' ' VAL . 62.6 mt -103.49 94.76 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.793 ' O ' HD12 ' A' ' 99' ' ' LEU . 8.3 t -125.5 -172.16 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -112.97 156.69 22.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -55.17 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' GLU . 14.1 mttt -45.32 -65.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -37.4 -66.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.36 -41.88 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.1 mt-10 -68.03 -27.79 66.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.2 mmmm -71.11 -34.88 71.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.485 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.3 mmt 57.82 20.32 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 64' ' ' MET . 47.6 p-10 -58.41 167.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -43.26 -56.39 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.761 ' C ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -43.15 -40.98 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.499 ' HE2' HD13 ' A' ' 19' ' ' LEU . 37.5 tpp -82.54 -26.75 32.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -67.5 -37.29 82.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 17.6 mm-40 -64.31 -30.36 71.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' A' ' 72' ' ' ILE . 84.0 t -82.79 -30.93 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -70.21 -50.97 34.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 6.4 pt-20 -53.08 -45.97 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -82.43 7.24 14.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' ALA . 3.3 t-20 39.08 69.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' A' ' 67' ' ' VAL . 50.5 mt -112.83 115.03 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -51.63 125.67 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 HG22 HG11 ' A' ' 67' ' ' VAL . 16.5 t -97.71 131.77 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -125.77 177.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t -97.44 179.54 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -20.08 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -21.39 66.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.413 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 20.8 t80 -60.2 -46.91 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.65 -40.81 96.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.5 tp60 -65.86 -18.42 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.41 -51.43 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -51.03 -34.32 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -86.35 -23.77 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -134.15 64.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -179.56 116.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 87' ' ' THR . 10.7 t -89.89 43.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -103.04 157.85 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.2 m -64.39 132.73 50.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.3 mm? -39.85 -58.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -39.59 -60.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.17 -48.27 71.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' LEU . 22.5 mt -52.32 -49.89 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.0 m-30 -56.13 -53.49 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 98' ' ' ILE . 9.2 mp -59.5 -44.57 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.21 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 86.1 m-70 -142.14 43.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -96.81 122.0 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 52' ' ' SER . 35.1 mt -97.57 -18.29 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.8 p -109.37 171.76 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.93 -11.03 16.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -100.26 -166.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.428 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.987 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -74.94 -16.85 20.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.575 HD21 ' HZ ' ' A' ' 79' ' ' PHE . 24.4 mt -107.37 -15.66 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -33.73 105.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 86.71 54.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 56.6 mtp -157.93 144.52 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -104.58 109.27 21.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.891 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -95.24 136.09 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -122.69 148.32 45.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -121.92 149.08 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.469 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -140.18 135.15 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -148.8 29.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 128.39 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.53 165.9 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.23 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -89.34 174.11 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.09 149.56 23.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -51.49 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -54.01 -62.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -40.99 -40.07 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -76.1 -54.14 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -47.38 -32.65 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.1 -54.14 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.2 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.959 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.6 mt -59.97 -34.97 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -45.87 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -31.33 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 80' ' ' LEU . 37.1 mt -81.63 5.13 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.38 -9.31 64.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.99 -177.08 39.06 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.98 133.94 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.959 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -86.78 137.4 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 17' ' ' LEU . 5.3 t -128.48 167.64 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -96.83 -41.47 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 17' ' ' LEU . 95.0 m -78.37 148.17 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -91.96 -41.93 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.96 -12.69 39.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -117.86 41.37 2.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.85 159.33 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -101.68 -30.2 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 75' ' ' VAL . 12.5 tp -145.98 159.61 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -130.06 147.06 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 47.5 mt -127.64 98.75 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.787 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.4 t -133.29 -172.67 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -103.85 -176.51 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -34.36 49.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' LYS . 14.4 tttt -59.2 -57.26 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -49.37 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -48.66 -35.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.17 -26.16 55.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -78.53 -38.98 39.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 59.47 56.18 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -81.53 168.59 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -49.51 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.899 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.4 mttm -52.92 -48.99 66.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 52.7 tpp -67.11 -30.18 70.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.69 84.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.9 mm-40 -53.84 -37.83 64.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.745 HG13 ' HB ' ' A' ' 72' ' ' ILE . 35.2 t -69.61 -39.39 78.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE3' ' A' ' 60' ' ' MET . 38.3 tttm -65.83 -42.03 91.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.73 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.37 8.34 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 25.9 t30 40.4 58.0 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.745 ' HB ' HG13 ' A' ' 67' ' ' VAL . 69.8 mt -100.9 113.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -51.54 121.02 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.511 HG22 HG11 ' A' ' 67' ' ' VAL . 3.5 t -94.62 114.46 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HA ' ' A' ' 94' ' ' PHE . 27.6 m -115.88 170.87 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 178.1 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 4.3 tt0 -85.97 -7.02 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.33 -29.84 64.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -49.38 -32.05 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 36' ' ' LEU . 78.7 mt -67.53 -47.96 68.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.3 -37.47 83.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.77 ' HB3' HD11 ' A' ' 93' ' ' LEU . 1.7 m-20 -78.82 -66.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 79' ' ' PHE . 7.2 p -40.26 -38.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 36' ' ' LEU . 10.2 t -75.48 -41.92 54.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -133.07 71.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' ASP . 46.9 t -149.77 144.43 26.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.4 p -91.11 30.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.43 143.42 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.4 m -69.05 159.47 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.987 HD11 ' CB ' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -49.87 -48.74 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -46.98 -33.05 4.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.56 -64.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 82' ' ' ASP . 3.8 mm? -44.33 -55.57 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.785 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.3 m-30 -43.25 -29.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.56 -38.16 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.67 2.19 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.578 ' HD2' HD12 ' A' ' 93' ' ' LEU . 78.5 m-70 -148.55 29.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -78.66 124.0 36.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 52' ' ' SER . 17.6 mt -103.31 -13.76 16.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -114.77 172.38 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.23 3.25 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 71' ' ' ASN . 10.5 p90 -121.73 -168.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.465 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 11.6 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.63 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.96 -27.29 10.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.29 0.32 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -46.69 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' SER . 10.1 t-20 85.27 54.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -158.71 132.83 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.724 ' C ' HD12 ' A' ' 16' ' ' ILE . 16.3 mtmt -90.6 129.84 36.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.809 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.0 mp -115.77 142.12 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 50' ' ' CYS . 0.9 OUTLIER -118.74 151.44 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -123.98 142.31 51.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.773 HD21 ' CB ' ' A' ' 63' ' ' LYS . 1.2 mt -134.89 134.16 40.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.56 -175.04 53.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 129.78 38.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.71 170.81 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -47.17 65.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -91.93 177.69 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.2 m-20 -94.71 150.6 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 4.7 tptt -39.84 -64.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.19 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.95 -39.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 33' ' ' ILE . 86.3 t -77.87 -52.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -48.0 -31.04 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -52.26 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.582 ' HE3' HD11 ' A' ' 36' ' ' LEU . 2.1 mmm -54.0 -50.08 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.723 ' CG2' HD13 ' A' ' 16' ' ' ILE . 40.7 mt -59.41 -26.44 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.29 -56.93 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -49.07 51.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' HE3' ' A' ' 32' ' ' MET . 15.7 mt -52.11 -43.02 63.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.54 -11.53 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.0 -162.09 31.83 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -158.13 132.71 8.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -76.9 137.76 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HD12 ' A' ' 17' ' ' LEU . 7.0 t -127.61 163.99 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -99.3 -37.62 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 17' ' ' LEU . 85.2 m -85.49 145.01 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.76 -53.17 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -21.79 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.83 46.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.72 160.11 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -109.55 -30.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 49' ' ' LEU . 7.0 tp -132.75 157.78 44.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.8 t -136.91 115.6 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 mt -102.69 94.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.1 t -124.72 -172.12 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.3 p -116.09 153.93 30.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -44.34 -57.33 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -40.56 -66.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -40.22 -61.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' THR . 11.5 t -49.44 -37.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.5 mm-40 -71.83 -27.39 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -78.4 -36.11 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 57.36 54.6 6.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.77 168.87 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.4 -43.16 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.773 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.9 mmtp -56.74 -51.85 67.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 47.8 tpp -68.24 -15.79 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt-10 -80.08 -35.29 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.7 mm-40 -65.54 -23.19 66.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -94.44 -29.19 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -66.18 -23.2 66.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 3.4 mt-10 -84.49 -44.17 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.29 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 0.8 OUTLIER 48.33 67.58 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ARG . 18.5 mt -100.96 98.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -34.39 109.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.516 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 12.6 t -87.44 115.08 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 25.8 m -118.55 173.01 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.76 -177.14 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -31.62 40.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.69 -22.66 9.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 8.3 t80 -59.21 -46.33 88.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HA ' HG12 ' A' ' 83' ' ' VAL . 33.7 mt -57.54 -44.43 85.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -58.84 -31.74 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.654 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.1 -55.55 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.628 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -54.45 -22.96 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.461 ' CB ' HD21 ' A' ' 36' ' ' LEU . 22.6 t -93.85 -26.45 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.44 70.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 7.3 t -163.97 126.25 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -89.58 39.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.57 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 m -64.01 142.42 58.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.815 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -50.74 -48.84 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -52.36 -40.14 61.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.16 -61.24 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 82' ' ' ASP . 93.6 mt -43.01 -46.55 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.815 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 12.0 m-30 -54.39 -54.9 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 ' OE1' ' A' ' 91' ' ' GLN . 1.2 mt -67.75 -28.39 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.56 1.11 47.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 95.8 m-70 -151.91 36.23 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.667 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.572 HD12 ' HD3' ' A' ' 73' ' ' ARG . 1.1 tp -89.92 127.65 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 52' ' ' SER . 22.1 mt -104.34 -17.92 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 98' ' ' ILE . 20.0 p -114.23 170.79 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -28.61 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 29.1 p90 -81.8 -168.91 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 10.5 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -18.0 18.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -110.42 -0.9 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -44.41 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.3 t-20 88.81 52.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 62.1 mtp -155.23 124.71 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 16' ' ' ILE . 18.6 mtmt -85.83 117.37 24.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -100.52 138.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -112.56 160.55 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.679 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.7 p -141.42 152.16 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.848 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.6 mt -136.53 175.11 9.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.19 -108.54 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 134.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.782 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -97.79 -166.28 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -19.88 60.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -102.8 -178.21 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.36 152.32 20.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -45.4 -44.39 11.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.18 -64.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -40.07 -36.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 33' ' ' ILE . 78.8 t -80.16 -54.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HB2' HD13 ' A' ' 40' ' ' LEU . 18.6 tttm -47.73 -34.69 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.64 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 84' ' ' SER . 0.4 OUTLIER -58.57 -53.51 57.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 29' ' ' VAL . 10.1 mt -53.48 -31.85 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.26 -44.82 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.68 69.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CB ' HD23 ' A' ' 11' ' ' LEU . 37.6 mt -82.01 4.67 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -14.61 62.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -76.9 -161.64 13.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -162.77 127.53 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 30' ' ' LYS . 6.6 tt -74.36 149.21 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.905 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -138.72 166.73 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.08 3.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.4 m -77.96 166.0 23.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -101.33 -49.07 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -57.32 -34.34 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.2 OUTLIER -91.73 37.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -133.71 163.65 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -109.11 -24.38 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.0 tp -147.85 160.85 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.647 ' H ' HD12 ' A' ' 49' ' ' LEU . 20.8 t -126.07 146.08 50.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.5 HD12 HG21 ' A' ' 16' ' ' ILE . 65.9 mt -133.55 94.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.08 -171.45 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.2 p -113.44 169.44 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -54.93 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -45.91 -51.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -53.5 -66.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.442 HG22 HG11 ' A' ' 74' ' ' VAL . 98.1 t -46.22 -27.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.68 -39.58 57.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -59.43 -50.0 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.7 mmt 62.76 37.73 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.73 -170.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.76 98.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.848 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -56.41 -61.26 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 40.0 tpp -59.52 -17.86 35.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 mm-40 -79.94 -30.47 39.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -69.14 -23.46 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -26.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 34.7 tttm -72.06 -20.55 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mm-40 -84.63 -43.42 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.95 -2.41 57.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.85 63.13 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 24.2 mt -103.54 104.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -41.71 133.74 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 4.3 t -107.29 117.22 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 98' ' ' ILE . 33.0 m -118.88 171.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.73 172.03 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 1.6 tm-20 -66.48 -26.81 67.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.39 -31.45 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -45.05 -51.54 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 83' ' ' VAL . 16.4 mt -58.49 -41.86 86.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -62.36 -19.89 63.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.68 -53.26 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -54.23 -30.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 5.2 t -86.66 -25.13 25.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.3 64.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.1 t -177.2 120.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 87' ' ' THR . 4.0 t -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 158.53 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -70.06 133.26 47.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.3 mm? -40.38 -59.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -39.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.8 mm-40 -75.42 -49.83 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 30.4 mt -52.2 -50.41 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.634 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.8 m-85 -52.98 -54.65 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -27.47 68.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.95 -8.92 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -150.07 37.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -87.47 121.84 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.4 mt -95.39 -27.06 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.6 p -99.95 167.0 10.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.49 -17.43 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 12.5 p90 -91.95 -164.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.535 ' HG2' ' CA ' ' A' ' 37' ' ' GLY . 9.8 mtpt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 -30.05 7.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.638 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -101.44 18.08 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.529 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.65 107.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 12' ' ' SER . 16.6 t30 83.58 54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.409 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -163.81 127.74 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.673 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.2 mttp -88.76 128.19 35.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.782 HD13 HG23 ' A' ' 33' ' ' ILE . 1.8 mp -108.46 139.37 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.849 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -107.12 160.87 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.673 ' N ' HD13 ' A' ' 17' ' ' LEU . 82.2 p -142.45 145.25 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.31 175.42 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.38 -110.67 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.71 135.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.765 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -95.96 -166.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -22.44 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -97.24 177.37 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -93.62 148.81 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -50.69 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -64.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.1 -40.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -76.65 -55.06 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -46.7 -34.45 5.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -67.98 -53.9 22.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.504 ' O ' HD22 ' A' ' 36' ' ' LEU . 17.0 mmm -52.18 -61.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.782 HG23 HD13 ' A' ' 16' ' ' ILE . 79.1 mt -47.18 -37.33 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.83 -29.9 56.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -76.87 -42.56 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.638 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.9 mm? -60.72 -16.04 35.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' CA ' ' HG2' ' A' ' 9' ' ' LYS . . . 112.37 -8.34 26.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.14 -157.46 29.56 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.6 mttt -161.99 132.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.31 132.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.849 HG23 HD23 ' A' ' 17' ' ' LEU . 5.4 t -123.18 167.34 13.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 -44.7 2.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.0 m -77.73 148.75 34.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . . . -90.42 -38.72 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 1.3 m-20 -66.22 -18.1 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -111.96 39.55 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.3 159.03 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -105.8 -28.42 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.9 tp -132.02 160.13 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.0 t -134.99 119.6 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mt -109.37 95.78 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -130.17 -172.0 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.5 p -111.06 156.49 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -56.23 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -44.43 -51.11 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -52.51 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 57.1 t -46.23 -27.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.86 -37.5 34.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -56.55 -52.32 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt 61.62 43.69 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.99 -173.11 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -51.29 63.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -49.96 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.0 mm-40 -48.67 -36.89 17.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 72' ' ' ILE . 24.9 t -71.48 -49.06 49.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -60.47 -34.9 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.34 -44.97 86.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -86.71 11.23 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.3 t30 39.16 61.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 67' ' ' VAL . 49.9 mt -105.09 118.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' ARG . 7.9 ptp85 -55.35 121.33 8.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.499 HG22 HG11 ' A' ' 67' ' ' VAL . 20.8 t -93.12 128.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 29.0 m -125.1 171.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -90.8 168.0 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.52 -22.75 66.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.8 m-20 -57.81 -46.37 84.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.15 -39.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.2 -50.93 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . 4.7 tp60 -58.49 -25.88 62.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -86.95 -56.42 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.51 -36.84 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -78.05 -33.03 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.0 67.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.9 t -175.24 125.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -95.23 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -108.01 150.33 27.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 135.62 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mm? -39.98 -62.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.478 ' O ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -38.25 -54.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -56.09 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 82' ' ' ASP . 12.7 mt -43.26 -48.17 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 90' ' ' LEU . 19.8 m-30 -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 91' ' ' GLN . 1.5 mm? -57.82 -29.26 64.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.11 -20.08 57.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 67.7 m-70 -140.46 47.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.38 121.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 52' ' ' SER . 35.7 mt -96.63 -24.17 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.497 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.3 p -104.93 166.44 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.38 1.75 33.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.1 p90 -111.94 -164.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 2.6 mtmp? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.637 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.5 Cg_endo -74.94 -32.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' MET . 46.3 mt -85.7 -14.9 44.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -39.72 96.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 12' ' ' SER . 8.1 t-20 93.37 48.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -159.52 131.03 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.617 ' C ' HD12 ' A' ' 16' ' ' ILE . 28.9 mttt -91.93 129.97 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.6 mp -113.55 127.28 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.93 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -103.31 160.7 14.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.722 ' N ' HD13 ' A' ' 17' ' ' LEU . 74.9 p -138.81 148.71 44.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.924 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -132.34 175.45 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.32 -134.08 1.75 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 139.35 40.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 mt -107.92 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -85.28 172.57 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -86.86 147.49 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -50.12 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -63.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -39.18 -42.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -74.81 -56.14 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -43.63 -33.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -48.7 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.88 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.952 ' CD1' HD12 ' A' ' 40' ' ' LEU . 63.4 mt -70.64 -29.16 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -82.67 -48.95 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -35.62 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.3 mt -72.61 -3.47 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.32 -9.56 71.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -77.73 -167.56 29.74 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.9 mtmt -155.18 123.34 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.64 139.62 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -123.02 169.94 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.11 -47.75 2.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.4 m -79.96 160.53 25.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.382 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' HG12 ' A' ' 67' ' ' VAL . . . -93.34 -43.67 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -14.91 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 42.34 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -136.75 152.96 50.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -94.05 -32.91 13.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.542 HD11 HG22 ' A' ' 75' ' ' VAL . 5.7 tp -143.99 154.5 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.3 t -115.79 136.48 53.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.6 mt -122.62 95.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -133.73 -171.63 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.7 p -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.468 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.09 -55.12 34.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 6.7 tptm -39.48 -66.63 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.4 tm-20 -39.46 -62.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' THR . 12.2 t -49.11 -38.39 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.8 mt-10 -72.67 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -83.37 -37.38 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.5 mmt 58.78 56.47 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -72.84 172.39 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -49.47 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.924 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.28 -49.38 67.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.498 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 48.7 tpp -72.19 -15.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 2.4 mt-10 -84.12 -12.57 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.45 -31.1 18.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG12 ' HB1' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -79.98 -31.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -65.36 -27.89 68.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -78.65 -39.16 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 8.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 48.07 49.82 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.78 109.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.59 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.0 ptp180 -54.54 124.96 17.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 67' ' ' VAL . 3.9 t -92.52 115.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 49' ' ' LEU . 15.1 m -116.86 172.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -91.71 -173.86 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -78.61 -29.22 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -46.93 -44.13 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.0 t80 -43.98 -36.86 2.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.654 ' HA ' HG12 ' A' ' 83' ' ' VAL . 49.8 mt -67.46 -44.41 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.5 tp60 -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -89.23 -58.06 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 80' ' ' LEU . 5.5 p -49.86 -27.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.407 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -90.16 -35.38 15.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.04 64.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 29.7 t -140.19 159.23 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.9 p -119.64 15.84 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -114.5 -170.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.3 m -98.44 148.47 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -39.93 -50.17 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.77 -39.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.9 mm-40 -69.27 -68.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -38.41 -53.67 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 9.4 m-85 -47.66 -56.77 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 98' ' ' ILE . 2.1 mt -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -78.21 1.71 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 79.7 m-70 -150.39 29.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -83.58 122.69 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 52' ' ' SER . 33.8 mt -99.85 -22.56 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.44 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.0 p -106.9 174.09 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.93 -12.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.3 p90 -101.99 -165.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 9.1 mtmt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.424 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.02 -16.98 19.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.6 mt -104.75 -19.0 14.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -34.61 106.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.8 t30 83.85 54.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 51.4 mtp -159.24 125.78 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' C ' HD12 ' A' ' 16' ' ' ILE . 35.2 mtmt -88.81 110.52 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -95.91 138.41 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.927 HD13 ' N ' ' A' ' 18' ' ' THR . 2.5 tm? -115.22 159.18 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.927 ' N ' HD13 ' A' ' 17' ' ' LEU . 13.9 p -132.62 126.85 33.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -113.11 117.44 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -112.72 4.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -176.7 138.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.809 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.71 -171.91 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -18.35 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -103.28 -177.46 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -98.56 151.21 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -50.25 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.72 -65.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.1 -37.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 33' ' ' ILE . 88.4 t -78.76 -55.05 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.4 ttmt -48.71 -31.67 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.57 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -54.73 38.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.673 ' CD1' HD12 ' A' ' 40' ' ' LEU . 14.2 mt -52.04 -32.1 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.63 -50.21 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.14 63.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.9 mt -81.65 4.68 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.83 -16.55 56.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -71.48 -163.63 5.85 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.23 131.12 5.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD12 ' CD1' ' A' ' 33' ' ' ILE . 5.9 tt -80.87 153.97 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.874 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 t -138.26 168.11 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.4 -40.39 3.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -83.37 163.41 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -99.12 -54.73 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 11.2 t30 -51.83 -28.95 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -99.3 41.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -139.74 150.98 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 m -97.93 -22.48 16.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mt -136.58 168.59 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.46 124.94 13.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HG22 ' A' ' 18' ' ' THR . 34.1 mt -111.42 95.66 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.696 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.5 t -128.13 -171.63 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 99' ' ' LEU . 27.8 p -114.33 173.13 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -62.81 -43.56 98.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -53.67 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -51.3 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.35 -22.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.47 -31.02 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -73.05 -37.05 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.475 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 mmt 54.08 53.09 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 22.3 t30 -86.61 165.46 16.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -39.65 -39.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.894 ' CB ' HD21 ' A' ' 19' ' ' LEU . 1.1 mmmt -55.02 -62.36 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 31.7 tpp -57.87 -21.81 44.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.72 -28.31 58.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.1 mm-40 -70.81 -25.16 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -96.8 -27.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -74.77 -19.99 59.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 7.8 pt-20 -81.7 -45.99 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -85.13 10.68 11.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 t30 44.2 65.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 28.7 mt -108.43 101.57 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.6 ptp85 -42.5 127.69 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.621 HG22 HG21 ' A' ' 67' ' ' VAL . 4.5 t -101.33 126.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 33.4 m -123.87 174.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.53 175.5 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -68.38 -31.7 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 m-20 -50.74 -40.13 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.4 t80 -37.01 -54.06 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' HA ' HG12 ' A' ' 83' ' ' VAL . 14.6 mt -55.2 -48.13 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -57.76 -21.19 40.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -94.08 -58.22 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -48.04 -36.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.06 -32.57 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -131.49 69.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -178.92 115.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 87' ' ' THR . 11.1 t -87.71 46.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.39 161.72 13.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -63.55 137.59 58.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.63 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -48.4 -56.64 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 7.0 mp0 -50.44 -49.33 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.32 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 93' ' ' LEU . 24.0 mt -47.09 -48.94 22.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.5 m-30 -55.38 -53.15 59.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.12 -34.25 74.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.77 -8.31 54.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -150.05 40.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.59 122.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 52' ' ' SER . 80.3 mt -97.6 -18.1 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 165.29 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -4.45 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -104.16 -163.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 11.0 mtmt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CB ' HG22 ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -20.95 16.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.8 mm? -109.16 2.32 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -45.23 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.2 t30 87.32 54.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 16' ' ' ILE . 38.3 mtp -154.42 129.03 9.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 22.1 mtpt -88.11 111.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.883 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -97.01 134.43 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.883 HD23 HG23 ' A' ' 41' ' ' THR . 1.6 tm? -113.9 158.85 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.802 ' N ' HD13 ' A' ' 17' ' ' LEU . 63.0 p -138.25 134.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 -98.41 1.09 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' HD22 ' A' ' 22' ' ' LEU . 1.4 ttpm? 176.99 139.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -91.88 -164.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -74.62 -26.34 59.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -97.52 -178.36 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -92.34 148.39 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -41.23 -60.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.39 -64.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.98 -44.24 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.6 t -73.16 -56.33 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -43.76 -34.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.95 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.404 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -53.15 -50.3 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 HD13 ' A' ' 16' ' ' ILE . 74.6 mt -55.37 -34.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.96 -46.53 18.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -29.68 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HB3' HD23 ' A' ' 11' ' ' LEU . 54.1 mt -79.77 1.69 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 -14.63 64.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.13 -165.4 14.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.7 mmtp -158.8 123.93 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.28 137.98 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.883 HG23 HD23 ' A' ' 17' ' ' LEU . 3.6 t -125.89 169.78 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.76 -46.63 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 44' ' ' ALA . 52.8 m -73.33 169.18 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 43' ' ' THR . . . -107.62 -48.8 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -61.93 -14.48 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.17 37.98 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -132.06 153.1 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -91.4 -31.48 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 50' ' ' CYS . 17.8 tp -145.3 161.33 39.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.495 ' H ' HD12 ' A' ' 49' ' ' LEU . 53.3 t -122.88 139.9 53.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 16' ' ' ILE . 63.5 mt -129.26 93.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.797 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.5 t -127.87 -171.51 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 32.5 p -111.79 159.08 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' N ' HD13 ' A' ' 99' ' ' LEU . 6.9 tppt? -45.7 -58.27 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -62.62 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.6 mm-40 -42.43 -66.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' MET . 64.6 t -44.69 -44.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.83 -38.05 74.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.47 -48.1 76.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.491 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.2 mmt 64.77 35.28 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.11 -176.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.7 -45.86 88.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.928 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.1 mttt -53.95 -31.07 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.777 ' SD ' HD13 ' A' ' 19' ' ' LEU . 32.1 tpp -92.3 -12.18 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.9 pt-20 -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.82 -26.25 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -27.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 28.4 tttm -70.66 -20.47 62.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.6 mm-40 -87.83 -37.76 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.65 8.73 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 46.26 52.48 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.95 114.17 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -58.28 133.48 55.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.0 t -102.51 123.12 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 51' ' ' ILE . 22.9 m -119.4 173.26 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.93 174.13 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.844 ' HB2' HD12 ' A' ' 22' ' ' LEU . 3.3 tm-20 -61.82 -39.87 93.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.3 m-20 -41.35 -41.9 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -38.07 -48.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 36' ' ' LEU . 19.3 mt -63.56 -46.1 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -58.8 -31.01 68.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.536 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.43 -60.52 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -44.94 -33.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 32' ' ' MET . 6.7 p -80.67 -38.58 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -131.44 70.56 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -170.52 121.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -87.15 43.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -110.17 143.33 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 92' ' ' GLU . 2.5 m -65.16 142.46 58.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.667 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 mm? -42.25 -60.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -43.18 -38.06 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.2 mm-40 -77.46 -51.05 11.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 82' ' ' ASP . 22.8 mt -51.04 -49.31 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.667 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -53.08 -54.3 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.37 -28.99 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.2 -4.66 45.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.5 m-70 -152.05 35.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.589 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.96 121.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 52' ' ' SER . 28.1 mt -95.08 -26.46 16.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 78.1 p -98.91 170.87 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 2.51 28.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 16.4 p90 -115.15 -166.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 1.5 mtmt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.721 ' HG2' HD22 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD23 HD13 ' A' ' 36' ' ' LEU . 2.5 mm? -91.36 6.62 44.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.538 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -47.73 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.1 t-20 82.28 54.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -154.41 131.21 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.752 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.3 mttt -89.39 127.73 35.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.806 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -115.91 136.79 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.75 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.2 tp -115.86 151.61 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 40.9 p -122.94 140.61 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -129.25 131.78 47.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -166.1 51.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -99.66 133.07 44.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.07 165.98 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -49.6 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -86.87 176.47 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -94.12 154.8 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -42.87 -60.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -47.12 -64.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.07 -39.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.4 t -77.22 -54.97 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HB2' HD13 ' A' ' 40' ' ' LEU . 9.5 tttm -46.89 -28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.98 -51.97 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.41 44.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.765 ' CG2' HD13 ' A' ' 16' ' ' ILE . 29.5 mt -55.52 -25.67 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.06 -59.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -49.46 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 84' ' ' SER . 10.5 mt -49.83 -43.28 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.32 -10.45 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.83 -158.47 32.12 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.8 mttt -160.77 134.65 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 30' ' ' LYS . 3.9 tt -74.31 145.82 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.52 HG21 ' HB2' ' A' ' 47' ' ' ALA . 9.4 t -132.08 166.93 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.9 -38.88 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -86.33 146.23 26.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -84.77 -45.44 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -14.54 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -119.71 44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.79 154.93 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -97.11 -29.6 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.729 HD11 HG22 ' A' ' 75' ' ' VAL . 11.7 tp -150.59 158.06 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.75 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -124.13 145.08 49.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.0 mt -128.25 95.13 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.1 t -127.25 -172.01 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 60.3 p -108.1 161.51 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -40.77 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -53.84 -51.78 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' THR . 21.8 t -48.53 -36.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.98 -26.35 56.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -79.71 -30.85 41.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.4 mmt 51.6 58.44 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -83.16 167.82 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.42 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HB2' HD21 ' A' ' 19' ' ' LEU . 21.2 mmtt -52.33 -49.2 64.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.483 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.1 tpp -66.46 -31.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -50.7 72.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.4 mm-40 -51.83 -35.75 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.814 HG13 ' HB ' ' A' ' 72' ' ' ILE . 40.2 t -75.05 -38.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 37.5 tttm -66.48 -40.22 89.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.69 -41.95 91.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -86.49 10.48 15.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 11.2 t30 40.06 54.37 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.814 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.5 mt -98.76 111.29 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -50.53 127.61 18.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 67' ' ' VAL . 3.9 t -100.41 114.93 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 HD11 ' A' ' 49' ' ' LEU . 31.0 m -112.5 168.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.477 ' HA ' HD11 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -81.7 173.13 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.04 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.94 60.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' GLN . 44.6 m-20 -52.85 -38.16 61.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 1.0 ' O ' HG22 ' A' ' 83' ' ' VAL . 59.3 t80 -42.84 -52.81 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 77.2 mt -49.15 -37.56 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.909 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -76.19 -25.28 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -82.57 -54.95 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -54.48 -41.72 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.785 ' CB ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.83 -16.58 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -136.22 59.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.9 t 179.68 134.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.5 p -105.66 35.55 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.47 171.94 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 m -73.48 141.6 46.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 4.0 mm? -52.18 -58.38 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.84 -49.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' LEU . 6.4 mm-40 -59.23 -65.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 68.1 mt -38.18 -54.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.654 ' HE1' HD22 ' A' ' 49' ' ' LEU . 13.4 m-85 -51.67 -48.61 63.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.87 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -65.68 -57.85 7.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -15.46 9.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 75' ' ' VAL . 95.2 m-70 -128.89 35.54 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.87 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -90.45 123.52 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 79.4 mt -99.14 -21.56 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.81 173.14 6.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 -13.56 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.419 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 12.0 p90 -99.32 -164.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.45 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.56 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 1.7 mttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -75.02 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD11 ' HZ ' ' A' ' 79' ' ' PHE . 2.7 mm? -79.95 -1.55 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.56 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -49.17 108.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' SER . 33.5 t30 85.12 55.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -165.46 128.61 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.619 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -88.46 121.15 30.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.759 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -105.34 138.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 41' ' ' THR . 0.7 OUTLIER -108.48 163.14 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.667 ' N ' HD13 ' A' ' 17' ' ' LEU . 71.0 p -140.81 148.52 40.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -143.76 145.47 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.56 -148.7 44.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -122.81 125.56 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.53 168.56 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.3 t -49.6 -46.55 49.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -89.23 175.98 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -89.15 150.93 22.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -41.07 -61.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -45.6 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.3 -40.87 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.89 -53.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -48.6 -30.07 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.1 mmm -55.63 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.676 HG21 ' HB ' ' A' ' 16' ' ' ILE . 54.4 mt -40.53 -30.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' MET . 6.8 mt-10 -82.33 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.905 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -57.63 -33.87 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.905 HD22 ' HG3' ' A' ' 35' ' ' LYS . 1.7 mm? -77.44 -9.67 59.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.85 -22.94 24.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -65.7 -162.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -161.22 130.23 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.35 136.33 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.902 HG23 HD23 ' A' ' 17' ' ' LEU . 5.1 t -123.7 170.16 10.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.75 -40.57 2.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 46' ' ' LYS . 3.3 m -80.99 145.27 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.762 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -87.37 -45.38 10.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.534 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 7.0 t-20 -66.33 -11.05 48.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 43' ' ' THR . 3.2 tptp -115.93 37.94 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.78 156.23 48.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -93.7 -30.13 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 94' ' ' PHE . 12.0 tp -144.68 159.43 42.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 39.8 t -126.36 135.4 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 108.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.2 mt -119.38 94.13 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -126.46 -171.31 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.7 p -111.05 170.41 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.51 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -46.83 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.764 ' OE2' HD22 ' A' ' 19' ' ' LEU . 1.1 mm-40 -39.93 -63.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' THR . 42.5 t -48.32 -42.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.5 -25.67 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.32 -30.96 30.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.489 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.9 mmt 51.99 56.38 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' MET . 22.8 t-20 -83.91 167.17 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -44.46 -55.74 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.778 ' CB ' HD21 ' A' ' 19' ' ' LEU . 15.7 mmmt -46.08 -33.27 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.489 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 50.5 tpp -88.14 -24.84 23.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.5 pt-20 -67.92 -37.99 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 69' ' ' GLU . 4.9 mm-40 -65.44 -29.93 70.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' A' ' 72' ' ' ILE . 91.4 t -81.28 -30.92 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -73.01 -46.47 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 12.6 pt-20 -55.91 -44.61 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -82.67 5.24 21.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 5.9 t30 46.14 55.58 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.799 ' HB ' HG13 ' A' ' 67' ' ' VAL . 97.8 mt -99.04 111.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.4 ptp180 -48.35 125.1 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 67' ' ' VAL . 5.2 t -99.25 114.36 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 HD11 ' A' ' 49' ' ' LEU . 15.5 m -114.25 176.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -173.8 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.18 -34.61 59.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -42.11 -49.48 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.533 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 5.1 t80 -39.17 -37.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 77' ' ' GLU . 39.0 mt -67.38 -51.89 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ASP . 32.6 tp60 -58.06 -25.08 60.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -84.87 -58.5 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -46.32 -35.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 p -79.45 -37.08 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.84 71.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.3 t -149.89 132.13 15.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.6 p -91.78 8.85 35.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.52 -165.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' GLU . 48.8 m -111.59 150.85 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 ' CB ' ' A' ' 10' ' ' PRO . 3.9 mm? -39.85 -56.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.0 -40.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.6 mm-40 -67.46 -68.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' CD1' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -36.13 -54.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 7.6 m-85 -47.07 -57.49 5.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -34.62 75.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.95 1.02 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 87.0 m-70 -151.71 30.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -83.72 122.66 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 52' ' ' SER . 81.9 mt -100.4 -18.45 16.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -112.97 162.05 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -19.86 21.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 10.6 p90 -91.28 -162.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -177.4 91.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -172.58 147.36 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.93 88.09 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -160.96 167.59 26.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m 63.07 105.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.59 -164.49 24.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.21 93.75 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 9.0 mtmt -131.89 92.84 28.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.9 mm? -67.7 -9.89 47.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -38.04 106.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t-20 81.98 54.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.428 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 48.7 mtp -155.76 128.12 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 16' ' ' ILE . 22.2 mttt -91.24 108.5 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -96.21 139.4 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.3 tp -113.64 151.2 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 40' ' ' LEU . 71.0 p -129.94 147.68 51.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.2 mt -140.6 172.46 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 47.43 -147.8 3.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -118.86 130.56 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.22 172.7 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -94.16 177.96 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.1 t30 -92.24 162.11 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -42.5 62.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.74 -62.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -43.04 -36.29 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' ASN . 85.9 t -80.51 -52.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.21 -33.84 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.37 -51.52 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.2 mmm -54.06 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.744 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.1 mt -45.76 -28.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -33.34 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.868 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.48 -34.13 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HG3' ' A' ' 35' ' ' LYS . 2.2 mm? -75.11 -13.66 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.02 -15.98 25.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.67 -161.3 8.25 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -161.25 129.21 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.744 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.95 138.01 42.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -128.79 169.58 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.99 -32.55 4.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.44 ' O ' HD13 ' A' ' 17' ' ' LEU . 53.6 m -86.88 139.66 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.55 -43.55 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -17.16 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -116.56 45.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.08 158.43 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -107.06 -28.53 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.042 HD11 ' CE1' ' A' ' 94' ' ' PHE . 5.3 mt -133.59 170.13 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.6 t -145.09 120.9 10.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.333 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 80' ' ' LEU . 32.6 mt -108.77 95.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.43 -172.11 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -113.5 156.26 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -44.74 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -50.87 64.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' OE2' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.71 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.4 -27.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.18 -38.77 50.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.62 -49.55 77.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.48 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 62.65 39.37 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -69.41 -173.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -40.33 86.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.81 -60.66 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.48 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 53.4 tpp -58.31 -28.53 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -45.99 92.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.6 mm-40 -54.3 -38.68 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.741 HG13 ' HB ' ' A' ' 72' ' ' ILE . 31.7 t -68.89 -40.02 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 42.7 tttm -68.31 -32.65 72.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.37 -44.33 71.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.47 8.72 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 42.69 64.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.741 ' HB ' HG13 ' A' ' 67' ' ' VAL . 56.7 mt -110.97 115.85 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 3.9 ptm180 -57.01 127.99 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 67' ' ' VAL . 13.1 t -98.94 126.84 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 23.6 m -119.92 173.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 p -87.8 179.49 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -32.73 60.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.24 -25.87 4.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.64 -44.63 81.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' ILE . 34.4 mt -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.77 -21.6 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -93.02 -55.14 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -44.13 -30.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -35.58 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -123.61 61.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -168.6 125.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.6 p -94.19 40.24 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 155.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 m -72.19 141.39 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.4 mm? -44.12 -60.51 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -41.0 -49.09 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.7 mm-40 -66.74 -53.38 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 93' ' ' LEU . 23.3 mt -47.28 -49.25 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.042 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.2 m-30 -54.14 -53.44 53.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.91 -27.51 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.12 -9.74 58.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.3 m-70 -149.7 39.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.45 121.51 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.8 mt -95.59 -27.18 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.0 p -101.18 167.87 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.01 -14.41 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -99.57 -164.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.045 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.475 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 92.58 63.42 1.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.79 -174.5 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.685 ' O ' HG23 ' A' ' 106' ' ' VAL . 8.5 mt-10 -50.43 117.93 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 105' ' ' GLU . 3.4 t -159.58 158.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -40.78 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.85 173.97 6.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.14 -146.3 18.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.81 133.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.1 p -151.41 164.62 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -71.25 122.24 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 p -134.31 127.71 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.87 88.76 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -114.43 145.91 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 t -155.9 -60.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.07 -154.9 25.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 63.53 -175.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CB ' ' CB ' ' A' ' 12' ' ' SER . 4.2 mttt 58.12 93.57 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.702 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 -15.11 20.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' ASN . 13.1 mt -113.18 -5.8 13.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -41.52 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.8 t-20 87.45 51.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.71 131.39 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.743 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.6 mttp -90.48 131.34 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.841 HD13 ' CG2' ' A' ' 33' ' ' ILE . 2.0 mp -116.35 143.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.2 tp -119.14 152.03 37.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -126.5 144.96 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.3 mt -134.89 155.94 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.16 -163.63 3.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -97.26 144.4 27.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 12.3 mt -121.78 174.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -64.78 -44.05 91.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 178.81 5.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -95.02 143.53 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -40.69 -42.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.26 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -40.52 -42.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.656 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.5 t -73.97 -53.61 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -45.09 -41.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.54 -40.31 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.12 -53.06 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 16' ' ' ILE . 27.0 mt -57.74 -27.45 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.98 -52.29 6.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -47.04 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 15.2 mt -54.82 -41.06 70.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.65 -9.41 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -82.53 -157.28 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.87 126.88 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.823 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.43 136.9 42.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -130.16 169.08 15.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -103.65 -31.34 4.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.431 ' O ' HD13 ' A' ' 17' ' ' LEU . 29.5 m -88.12 144.08 26.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' CB ' ' HG3' ' A' ' 66' ' ' GLU . . . -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -24.18 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -110.25 46.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 160.92 39.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -113.62 -27.95 7.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.1 tp -132.87 164.08 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 5.8 t -143.65 120.04 10.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.73 95.99 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.601 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -125.58 -172.64 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -111.48 153.43 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -51.15 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -52.93 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.766 ' OE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.5 -67.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' MET . 55.3 t -43.47 -40.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -57.78 -46.77 84.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 63.46 34.42 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' MET . 63.9 t30 -67.61 170.75 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -47.52 -53.46 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.855 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.1 mmtp -51.84 -25.57 8.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.756 ' HE1' HD13 ' A' ' 19' ' ' LEU . 52.8 tpp -92.0 -34.28 14.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.4 mm-40 -63.73 -42.09 97.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG3' ' CB ' ' A' ' 44' ' ' ALA . 14.3 pt-20 -56.74 -39.82 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.567 HG13 ' HB ' ' A' ' 72' ' ' ILE . 42.6 t -69.92 -36.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 29.7 tttm -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.46 -46.67 88.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.31 2.79 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t30 46.59 63.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.567 ' HB ' HG13 ' A' ' 67' ' ' VAL . 25.3 mt -106.61 108.49 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 7.9 ptp85 -49.18 126.52 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 23.0 t -97.72 132.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -128.51 172.3 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 p -87.67 -177.98 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -36.21 57.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -49.62 -27.53 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -49.61 -49.65 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 83' ' ' VAL . 54.6 mt -59.35 -38.52 80.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 10.8 tp60 -63.81 -25.61 68.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -93.61 -55.26 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -52.02 -35.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HD21 ' A' ' 36' ' ' LEU . 8.1 t -81.6 -30.38 32.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -131.62 67.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.7 t -179.45 123.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.6 p -90.34 46.35 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.71 154.7 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 m -67.86 135.37 52.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.5 mm? -43.05 -63.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -44.79 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.87 -59.02 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 50.3 mt -44.77 -48.7 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.9 m-30 -53.17 -55.92 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -27.12 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.79 -11.0 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 96.0 m-70 -148.63 44.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.92 121.58 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' SER . 26.5 mt -95.1 -27.36 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.1 p -101.72 165.12 11.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.0 -15.48 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -95.65 -170.85 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.675 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . 97.48 55.32 1.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 103' ' ' GLY . . . 82.98 137.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 163.38 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 106' ' ' VAL . 7.2 p -172.6 72.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 142.71 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t -93.89 140.89 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.1 -146.1 4.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.54 22.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.0 t -123.59 88.97 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -59.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.23 145.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -102.31 170.02 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.27 -178.88 48.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 p -170.89 110.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.34 160.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.08 63.34 0.57 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -178.04 67.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.4 mtmt -121.12 93.2 48.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.606 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.0 -22.75 14.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASN . 18.0 mt -105.57 -5.74 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -39.48 94.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 12' ' ' SER . 11.2 t-20 86.86 49.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.4 mmm -144.31 124.93 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -88.26 107.88 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.753 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -95.07 140.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -111.26 161.26 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.3 p -138.38 152.2 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.953 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.1 mt -144.66 161.12 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.08 -146.56 39.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 140.23 53.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.74 178.74 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -41.21 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -90.87 -178.18 5.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -98.59 148.5 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -44.62 -33.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -64.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.18 -34.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 80' ' ' LEU . 91.0 t -83.02 -50.63 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -50.97 -29.77 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.47 35.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 0.8 OUTLIER -60.32 -56.24 23.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.691 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.4 mt -53.49 -27.78 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.17 -52.56 6.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.38 66.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mt -57.34 -39.78 76.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.57 -12.97 3.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -79.27 -158.65 14.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.98 128.23 3.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.7 135.21 41.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.685 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -125.12 170.04 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.66 -36.59 5.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 3.1 m -80.38 168.2 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -107.27 -46.46 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.34 -19.04 53.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -107.06 40.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -142.31 151.66 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 33.0 t -97.28 -30.61 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 79' ' ' PHE . 5.9 tp -128.37 160.41 32.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.7 t -136.32 110.59 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.4 mt -95.78 96.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.718 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.3 t -129.37 -172.37 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.4 p -113.73 157.84 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.25 -51.02 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -46.98 -59.79 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -45.76 -61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' THR . 26.0 t -48.94 -34.99 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.04 -28.79 61.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -76.44 -38.58 55.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.0 mmt 57.43 54.15 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 9.4 t30 -74.25 174.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -53.08 -43.73 66.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.953 ' CB ' HD21 ' A' ' 19' ' ' LEU . 14.1 mmtt -56.09 -56.83 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.9 tpp -62.48 -19.05 63.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -78.04 -29.61 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -69.6 -24.95 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.76 -26.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 36.2 tttm -71.72 -20.87 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.7 mm-40 -85.07 -41.49 15.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 9.73 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.572 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 11.0 t30 43.85 61.09 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 46.3 mt -104.65 104.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -45.53 131.42 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 8.6 t -100.53 128.59 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -124.74 172.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.29 177.55 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -14.28 61.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -70.83 -17.47 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.6 t80 -65.26 -41.62 94.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 33.3 tp60 -62.03 -30.91 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.68 -54.98 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -51.77 -28.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 32' ' ' MET . 8.7 t -91.51 -30.94 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -128.16 62.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.2 t -172.3 123.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.5 p -90.22 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -106.46 163.58 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 m -77.45 141.48 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.013 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 mm? -45.01 -59.99 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -48.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.52 -57.34 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 28.0 mt -43.84 -50.34 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.013 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 23.0 m-30 -52.05 -55.17 22.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.86 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 79.7 m-70 -147.08 40.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -90.49 121.88 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 52' ' ' SER . 22.9 mt -94.41 -28.58 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 12.2 p -102.32 177.01 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.88 -14.98 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.408 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 14.4 p90 -94.64 -168.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.453 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 100.63 63.59 0.79 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.572 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -145.08 -170.16 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -47.69 145.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 107' ' ' LYS . 4.2 p -172.58 179.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.701 ' H ' HG22 ' A' ' 106' ' ' VAL . 2.4 tmtt? -91.33 74.82 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.0 p -118.21 -58.22 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.97 163.76 29.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 p -40.32 134.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.94 166.86 21.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -56.68 135.38 55.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -164.85 136.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.68 -135.21 1.97 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 p 57.65 169.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.975 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -159.43 165.47 33.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.14 136.45 2.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.51 81.41 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.6 mtmt -126.73 91.34 47.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.725 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -74.99 -40.63 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.724 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.8 mm? -80.16 -21.95 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -33.22 107.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 81.67 55.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.589 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.8 mtp -158.98 125.66 4.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -89.49 106.15 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.901 HD13 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -97.31 133.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -111.03 150.88 28.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.426 ' CG2' HD11 ' A' ' 40' ' ' LEU . 75.5 p -125.42 150.75 46.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.862 HD21 ' CB ' ' A' ' 63' ' ' LYS . 2.4 mt -136.68 174.51 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.19 -149.12 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 126.56 48.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 172.27 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -42.84 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -92.39 174.6 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.94 151.29 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -59.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -47.69 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.18 -40.23 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.43 -52.19 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -35.11 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.76 -46.57 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -62.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 16' ' ' ILE . 41.9 mt -49.14 -37.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.48 -30.68 61.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.74 -45.99 66.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.6 mm? -63.77 -11.55 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.42 -11.09 36.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.97 -159.24 8.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.8 mttt -162.64 127.99 3.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.41 137.71 42.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -123.75 169.83 11.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -105.19 -37.15 2.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -86.56 136.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -75.14 -55.99 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -45.72 -38.03 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -96.42 45.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -137.14 156.71 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.9 m -105.77 -31.07 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.5 mt -136.23 169.08 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.9 t -143.87 126.59 16.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.9 mt -114.1 95.06 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -126.73 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -111.65 158.72 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -45.83 -56.35 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -41.6 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 2.4 mm-40 -38.0 -64.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 24.5 t -49.03 -40.65 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.6 mt-10 -69.24 -24.9 64.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 5.8 mmtt -78.74 -32.75 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.7 mmt 55.56 34.48 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.41 173.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.93 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.862 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.5 mmtt -54.14 -53.58 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 35.1 tpp -65.01 -18.98 65.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.97 -30.72 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 1.5 mm-40 -68.86 -23.58 64.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -93.08 -25.53 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -72.57 -19.39 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.56 11.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.04 6.86 20.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 47.95 61.89 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.3 mt -104.85 90.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -37.02 129.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 67' ' ' VAL . 3.4 t -100.71 118.41 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 19.8 m -114.92 171.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t -88.03 -176.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.66 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -48.55 -30.12 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.36 -46.14 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HA ' HG12 ' A' ' 83' ' ' VAL . 31.3 mt -59.86 -38.61 82.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -66.04 -38.36 88.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.47 ' CA ' ' HB2' ' A' ' 86' ' ' SER . 0.3 OUTLIER -76.91 -56.24 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -49.53 -25.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.592 ' HA ' HD11 ' A' ' 36' ' ' LEU . 8.9 t -87.98 -31.77 19.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -148.15 75.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB2' ' CA ' ' A' ' 82' ' ' ASP . 16.7 t -151.29 146.01 25.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.638 ' O ' HG23 ' A' ' 87' ' ' THR . 6.5 t -105.48 42.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -126.27 155.8 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -69.68 150.88 46.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -49.41 -54.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -50.95 -51.55 51.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.44 -44.94 92.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 88' ' ' LYS . 54.6 mt -53.85 -48.68 69.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 49' ' ' LEU . 21.7 m-30 -53.96 -54.28 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -28.47 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.94 -6.89 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 93.9 m-70 -151.35 37.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.649 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.43 121.52 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' SER . 44.4 mt -96.23 -22.49 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -104.09 170.08 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.53 -3.67 23.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.2 p90 -107.92 -163.69 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.17 62.32 1.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.88 -169.63 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.21 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.96 162.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.63 75.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.71 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.76 156.87 13.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.81 3.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -91.01 -59.5 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.0 m 67.01 163.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -59.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.935 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.72 162.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.54 104.31 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.8 141.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -176.41 148.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.36 -111.02 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.0 173.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.8 mtmt 73.1 81.2 0.16 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.766 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -17.83 19.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.3 mm? -107.35 1.66 23.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -47.82 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.9 t-20 88.23 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -154.88 131.76 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.3 mttp -92.88 128.41 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.812 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.2 mp -117.51 137.71 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -113.54 150.55 32.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.1 p -128.39 151.6 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.3 mt -140.94 175.29 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.39 -150.54 3.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -118.15 131.08 56.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.15 166.62 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -51.81 -46.48 64.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -91.41 178.13 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -92.68 153.49 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -44.28 -59.93 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -47.01 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.03 -42.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.53 HG12 ' CD1' ' A' ' 33' ' ' ILE . 77.7 t -73.99 -55.01 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -45.17 -31.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.72 -47.01 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.825 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.2 mmm -60.31 -47.15 87.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' A' ' 40' ' ' LEU . 74.4 mt -59.84 -35.22 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.68 -40.48 33.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -28.88 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.825 HD11 ' HE3' ' A' ' 32' ' ' MET . 44.7 mt -83.8 7.52 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -16.94 56.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -70.19 -164.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -163.27 123.32 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.47 136.66 42.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -127.78 169.15 14.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -100.96 -41.45 2.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 85.8 m -80.54 145.73 31.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.425 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -88.09 -48.28 7.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 43' ' ' THR . 2.3 p-10 -58.36 -17.11 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -115.22 43.43 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.02 162.78 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -105.88 -26.35 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 50' ' ' CYS . 13.4 tp -152.83 160.55 43.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' LEU . 13.0 t -127.29 139.39 52.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 16' ' ' ILE . 57.0 mt -126.13 95.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.815 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -130.31 -172.2 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 20.1 p -111.4 157.76 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.96 -57.81 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.7 mm-40 -41.81 -68.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 74' ' ' VAL . 95.5 t -46.65 -32.89 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.93 -37.61 70.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.51 -48.47 81.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.546 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 63.14 38.07 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 63' ' ' LYS . 5.7 p30 -70.25 -169.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -61.53 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.822 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.48 -54.26 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.562 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 46.2 tpp -62.6 -38.01 88.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -54.67 -47.51 73.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -51.28 -38.9 55.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.823 HG13 ' HB ' ' A' ' 72' ' ' ILE . 30.1 t -68.16 -39.55 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -65.66 -41.27 92.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.15 -41.07 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.47 9.16 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.1 t30 40.01 54.81 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.823 ' HB ' HG13 ' A' ' 67' ' ' VAL . 77.8 mt -98.84 119.54 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -54.41 135.36 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 57' ' ' VAL . 4.0 t -109.58 114.92 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 94' ' ' PHE . 32.1 m -112.05 168.87 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -90.68 170.85 9.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -17.43 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.51 -28.43 69.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 9.1 t80 -59.66 -46.48 88.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.4 mt -54.92 -50.48 68.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.3 -27.57 64.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.634 ' CG ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.85 -56.9 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.766 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.4 -28.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -86.66 -30.22 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -128.91 62.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -164.88 151.27 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.3 p -123.38 32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -99.14 174.3 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -78.92 144.96 34.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.9 mm? -51.51 -58.97 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -40.42 -56.16 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.02 -53.81 52.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.634 HD22 ' CG ' ' A' ' 82' ' ' ASP . 22.0 mt -47.42 -58.81 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 22.1 m-85 -48.04 -47.45 33.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.825 ' C ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.68 -59.25 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.94 -18.38 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 38.7 m80 -129.43 41.78 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -94.69 123.18 46.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 52' ' ' SER . 16.9 mt -96.78 -17.34 20.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 p -109.85 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -5.56 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.1 p90 -109.16 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 90.46 57.55 1.64 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.04 116.68 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.95 160.31 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.5 t -124.08 88.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.85 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.1 p -162.92 84.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.41 157.44 15.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -128.74 103.94 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -39.87 144.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -115.09 135.36 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 63.71 156.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.01 104.94 0.64 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.098 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.03 111.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -162.61 162.97 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.09 -153.12 15.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.07 174.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.1 mttt 69.11 79.91 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.577 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.03 -15.2 20.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 12' ' ' SER . 38.0 mt -109.59 -16.13 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -31.89 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.2 t30 87.27 54.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 49.8 mtp -159.2 127.03 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -92.08 110.82 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.4 mp -95.18 136.76 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 18' ' ' THR . 1.6 tm? -114.37 161.79 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.2 p -135.96 144.42 45.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -136.58 124.5 22.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.57 -164.58 37.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.3 133.95 45.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.05 165.96 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -49.5 -46.18 47.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -89.93 179.06 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -92.69 152.49 19.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -43.38 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.18 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -42.03 -35.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.11 -51.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -51.4 -27.63 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.39 -51.2 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.591 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -53.56 -56.5 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.951 HD12 HD12 ' A' ' 40' ' ' LEU . 78.6 mt -49.89 -34.81 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -78.79 -44.38 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -61.85 -29.66 70.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 ' HE3' ' A' ' 32' ' ' MET . 37.2 mt -83.31 7.98 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.95 -10.89 59.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.45 -169.84 22.78 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -150.67 134.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.951 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -86.11 139.45 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.834 HG23 HD23 ' A' ' 17' ' ' LEU . 3.9 t -124.86 167.14 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 -43.25 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -80.45 158.84 25.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -95.73 -44.3 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.94 -33.76 73.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -96.1 38.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.19 158.78 37.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -101.18 -28.27 12.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD22 ' HE1' ' A' ' 94' ' ' PHE . 8.5 tp -149.14 156.81 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 35.5 t -121.8 143.44 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 16' ' ' ILE . 49.6 mt -128.03 94.94 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.81 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -129.82 -172.1 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 p -109.0 161.86 14.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.15 -54.44 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -49.43 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -53.1 -68.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' HG11 ' A' ' 74' ' ' VAL . 52.1 t -46.49 -25.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-10 -77.79 -41.02 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -57.51 -37.73 73.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.567 ' HE1' ' HD2' ' A' ' 68' ' ' LYS . 2.1 mmt 52.34 53.58 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.15 175.41 8.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -47.69 -41.36 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.864 ' CB ' HD21 ' A' ' 19' ' ' LEU . 13.2 mmtt -58.19 -52.9 63.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.2 tpp -65.03 -24.56 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 -49.9 69.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 5.1 mm-40 -51.97 -34.57 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.752 HG13 ' HB ' ' A' ' 72' ' ' ILE . 36.1 t -75.77 -40.25 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 9.4 tttt -65.63 -42.55 91.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.02 -42.78 99.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.21 8.39 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 t30 42.1 54.9 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.752 ' HB ' HG13 ' A' ' 67' ' ' VAL . 85.0 mt -99.82 115.48 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -54.37 121.52 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 67' ' ' VAL . 4.0 t -93.74 114.37 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 18.1 m -113.71 172.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -173.31 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -23.3 38.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 67.1 m-20 -52.6 -40.89 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 t80 -43.26 -42.29 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.56 ' HA ' HG12 ' A' ' 83' ' ' VAL . 63.2 mt -64.26 -40.1 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 6.2 tp60 -68.09 -34.8 77.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -79.47 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 80' ' ' LEU . 4.4 p -45.97 -33.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -81.09 -37.99 28.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.14 72.66 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.2 t -145.28 134.03 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 p -86.29 13.64 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.36 -165.78 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 17.0 m -116.11 152.79 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 10' ' ' PRO . 4.2 mm? -38.09 -56.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.04 -47.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 96' ' ' ALA . 27.2 mm-40 -59.23 -66.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -41.22 -60.01 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 49' ' ' LEU . 9.6 m-85 -41.32 -30.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 92' ' ' GLU . 8.6 mt -98.17 -35.82 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.94 2.02 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 99.5 m-70 -145.14 22.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.636 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -74.89 123.21 30.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 52' ' ' SER . 14.2 mt -102.0 -19.54 15.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -110.79 177.05 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -16.62 14.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 9.7 p90 -96.07 -166.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.78 64.24 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.25 117.72 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.53 162.63 24.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 m -49.18 175.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.33 162.73 28.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.01 111.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.78 173.64 31.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.74 14.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 p -53.57 171.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -59.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 -59.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 p -148.55 165.85 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 111.82 -140.81 16.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t 66.48 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.031 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' GLY . 28.0 t -42.43 151.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.71 131.15 0.43 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.01 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 4.8 mtmt 70.14 81.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.535 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -20.85 16.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -111.48 2.56 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -40.14 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 12' ' ' SER . 17.7 t30 88.45 51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.711 ' O ' HD12 ' A' ' 16' ' ' ILE . 2.6 mmm -143.89 123.35 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -82.97 107.09 15.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.863 HD13 HG23 ' A' ' 33' ' ' ILE . 3.9 mp -95.29 132.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -104.77 159.41 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.699 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.9 p -139.43 153.95 47.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.6 mt -144.98 173.11 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 41.18 -147.54 0.34 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG21 ' A' ' 53' ' ' THR . 22.8 tptm -116.93 137.88 51.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.74 166.77 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -48.52 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -86.6 174.42 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' LYS . 88.9 m-20 -87.43 143.73 27.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.0 tttt -40.05 -51.59 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.3 -64.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.64 -43.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG12 ' CD1' ' A' ' 33' ' ' ILE . 71.4 t -72.58 -54.73 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -43.75 -43.18 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.97 73.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.97 -47.4 85.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.88 ' CD1' HD12 ' A' ' 40' ' ' LEU . 77.4 mt -60.3 -34.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.42 -43.32 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -29.0 70.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD12 HD22 ' A' ' 80' ' ' LEU . 48.2 mt -82.67 5.57 20.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.06 -14.35 60.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.18 -165.84 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -157.34 133.88 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.88 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.41 135.41 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.711 HG23 HD23 ' A' ' 17' ' ' LEU . 8.5 t -127.53 169.7 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.06 -37.78 4.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 44' ' ' ALA . 92.9 m -78.92 167.54 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -106.77 -50.03 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.12 -17.16 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -108.18 38.59 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -140.88 151.65 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -94.95 -31.95 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.5 tp -127.7 163.35 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 67' ' ' VAL . 42.3 t -138.94 110.59 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.249 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.3 mt -98.79 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.576 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -128.45 -172.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 21' ' ' LYS . 55.5 p -110.15 154.89 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' LYS . 1.2 tppt? -48.33 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -39.17 -66.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.2 OUTLIER -39.37 -60.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 53' ' ' THR . 12.0 t -49.96 -39.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.8 mt-10 -74.26 -23.29 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -82.68 -39.68 21.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.621 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 58.54 58.78 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -84.21 164.16 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -48.59 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -51.73 -59.28 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.621 ' HG3' ' HE2' ' A' ' 60' ' ' MET . 54.4 tpp -58.43 -37.03 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -46.41 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.6 -41.72 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.756 HG13 ' HB ' ' A' ' 72' ' ' ILE . 39.5 t -66.99 -37.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 40.9 tttm -69.06 -34.65 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.5 -45.74 82.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.22 8.48 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 42.99 58.77 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.756 ' HB ' HG13 ' A' ' 67' ' ' VAL . 57.1 mt -102.68 111.68 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD2' ' A' ' 94' ' ' PHE . 8.8 ptp85 -50.6 126.05 14.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.47 HG22 HG11 ' A' ' 67' ' ' VAL . 15.0 t -96.2 127.35 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -124.58 171.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.36 -177.71 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -33.62 64.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -35.82 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -45.13 -50.84 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.677 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -56.39 -45.51 80.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -57.1 -22.61 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.617 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -94.76 -53.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.677 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -56.59 -24.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.535 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.1 t -91.12 -19.17 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.82 64.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 41.7 t -153.35 141.49 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -110.57 45.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -129.11 -163.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -96.29 161.45 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.749 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.1 mm? -60.57 -47.37 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.53 -60.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.19 -40.42 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 92' ' ' GLU . 80.6 mt -67.19 -42.71 83.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.749 ' CE1' HD12 ' A' ' 90' ' ' LEU . 18.4 m-30 -61.25 -53.17 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -29.02 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' GLU . . . -78.07 0.07 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 96' ' ' ALA . 96.5 m-70 -158.05 35.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.1 122.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' SER . 27.7 mt -96.05 -27.24 15.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 84.6 p -103.52 168.52 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.24 -12.69 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 9.1 p90 -99.93 -167.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.443 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 102.43 59.6 0.75 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.27 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 125.85 9.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 m -78.93 167.59 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 122.86 19.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t 51.91 83.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -42.13 115.28 0.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.24 2.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 167.03 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m 63.29 130.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -135.83 129.42 32.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 146.36 47.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.46 139.6 2.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -159.98 148.89 17.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p 173.62 154.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.89 -174.83 18.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 82.54 7.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.533 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.9 mtmt -119.92 95.06 49.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.688 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 36' ' ' LEU . 23.8 mt -66.76 -13.7 61.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.595 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -42.58 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 91.0 44.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -151.77 121.89 7.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -83.89 126.03 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.9 mp -107.98 136.38 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -112.32 161.15 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.725 ' N ' HD13 ' A' ' 17' ' ' LEU . 51.9 p -137.04 145.65 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -131.42 161.97 31.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.712 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 56.91 -141.17 43.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.5 122.69 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -93.56 171.0 9.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -45.04 95.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -84.48 174.23 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -90.05 146.66 24.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.32 -48.91 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -55.34 -65.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.14 -37.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.49 -53.97 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -47.03 -33.08 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.95 -49.19 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -52.14 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.697 HD12 HD12 ' A' ' 40' ' ' LEU . 50.0 mt -59.76 -34.56 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.83 -27.9 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.808 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.22 -50.36 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.2 mm? -56.14 -21.59 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 -6.05 18.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.05 -162.2 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 128.53 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.697 HD12 HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -74.38 139.0 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 17' ' ' LEU . 4.8 t -125.6 169.39 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.41 -43.82 2.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.589 HG21 ' CD ' ' A' ' 46' ' ' LYS . 6.2 m -78.69 159.53 27.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -96.8 -40.61 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -64.14 -32.89 74.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CD ' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -95.58 36.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.97 161.17 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -103.69 -27.36 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.5 tp -148.36 161.33 41.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.657 ' H ' HD12 ' A' ' 49' ' ' LEU . 9.5 t -126.63 142.24 51.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -126.4 94.99 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.753 ' O ' HD12 ' A' ' 99' ' ' LEU . 7.6 t -127.33 -172.13 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 67.1 p -115.22 161.24 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -48.16 -54.07 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.43 -66.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -39.18 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.11 -56.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.3 -24.51 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.3 ptpt -78.5 -39.69 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.1 mmt 57.5 53.15 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -86.19 174.81 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -47.77 -56.01 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.32 -43.41 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.918 ' HE1' HD13 ' A' ' 19' ' ' LEU . 40.3 tpp -75.67 -23.23 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -68.89 -42.8 76.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 9.8 mm-40 -59.61 -29.36 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.771 HG13 ' HB ' ' A' ' 72' ' ' ILE . 60.8 t -82.81 -34.57 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -71.01 -46.17 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 18.5 pt-20 -56.67 -42.87 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -86.65 7.16 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 t30 44.67 53.35 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.771 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.6 mt -95.6 118.16 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.487 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.22 127.81 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 67' ' ' VAL . 9.4 t -102.75 115.04 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 49' ' ' LEU . 21.4 m -114.8 173.54 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -94.1 176.93 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -8.88 57.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -76.91 -9.73 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -74.71 -34.92 62.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' HG12 ' A' ' 83' ' ' VAL . 18.1 mt -67.05 -53.18 33.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.631 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 7.0 pt20 -60.37 -17.87 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -92.75 -43.7 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -63.75 -15.57 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.65 -6.1 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -138.38 36.54 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.0 t -151.73 140.31 20.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -112.45 30.6 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -93.55 -177.71 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -82.19 131.97 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.858 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -40.29 -51.84 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.81 -45.52 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.7 mm-40 -65.82 -41.69 91.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 93' ' ' LEU . 17.1 mt -57.8 -50.42 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.858 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 22.2 m-85 -53.25 -54.21 39.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.01 -28.03 69.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.46 -5.03 45.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -153.25 35.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.21 121.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 52' ' ' SER . 54.5 mt -94.3 -20.19 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.7 p -102.95 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.97 6.68 15.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -123.74 -166.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 97.66 52.25 1.44 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 65.58 154.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -102.98 169.3 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 p -76.11 138.23 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -154.51 177.86 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.65 154.78 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.17 151.81 50.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 120.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.35 143.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -118.06 -59.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 50.39 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.27 119.92 1.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -178.77 143.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.92 151.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.32 173.28 18.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.3 mtmt -140.23 94.3 8.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -24.55 12.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.2 mm? -106.59 8.36 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -48.66 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' SER . 3.1 t-20 84.57 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.407 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -149.66 123.58 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.7 mtmt -86.67 126.79 34.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 33' ' ' ILE . 2.8 mp -105.98 144.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 41' ' ' THR . 1.4 tm? -117.18 158.18 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 52.5 p -136.99 142.15 42.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -137.68 126.18 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.26 -142.85 16.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -127.62 147.66 50.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.65 HD13 ' HG3' ' A' ' 77' ' ' GLU . 10.0 mt -125.08 -179.44 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 t -66.99 -41.52 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -90.12 178.52 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 79.5 m-20 -96.7 142.82 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ASN . 6.1 ttpt -39.98 -38.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.29 -39.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.902 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.4 t -76.6 -54.44 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -46.23 -24.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -84.7 -64.32 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.853 ' SD ' HD13 ' A' ' 80' ' ' LEU . 7.8 ptm -45.84 -42.87 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.902 ' CD1' HG12 ' A' ' 29' ' ' VAL . 85.2 mt -61.87 -33.91 60.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.1 mt-10 -79.67 -34.41 40.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.99 -33.1 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 11' ' ' LEU . 73.1 mt -69.53 -15.0 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' CA ' ' HD2' ' A' ' 9' ' ' LYS . . . 110.75 -9.04 29.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.68 -158.16 33.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -163.27 140.35 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.15 135.65 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -125.03 169.41 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.42 -48.08 1.74 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -81.29 149.12 29.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 0.774 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -85.88 -36.8 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -21.04 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.66 42.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.85 159.38 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 m -100.27 -28.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' H ' ' A' ' 50' ' ' CYS . 15.8 tp -149.33 162.28 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.621 ' H ' HD12 ' A' ' 49' ' ' LEU . 43.4 t -126.15 145.1 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.5 mt -130.23 93.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.662 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -129.07 -171.57 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 22.1 p -111.09 175.16 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -54.48 -55.52 28.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.618 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -51.83 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG22 HG11 ' A' ' 74' ' ' VAL . 98.8 t -47.29 -32.28 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.21 -35.96 74.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.56 -47.91 76.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 63.67 35.49 11.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.7 t30 -67.39 -166.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -64.27 -57.63 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.731 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.51 -27.11 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.618 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 47.1 tpp -95.88 -20.32 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 3.1 pt-20 -72.73 -36.85 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.63 -38.51 91.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.868 HG13 ' HB ' ' A' ' 72' ' ' ILE . 57.7 t -67.16 -35.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -70.28 -30.06 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -73.56 -41.69 62.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.63 13.86 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 7.5 t30 39.55 49.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.868 ' HB ' HG13 ' A' ' 67' ' ' VAL . 81.4 mt -92.48 106.81 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 49' ' ' LEU . 8.2 ptp85 -47.69 130.13 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.542 HG11 HG22 ' A' ' 57' ' ' VAL . 11.0 t -102.01 116.21 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 97' ' ' HIS . 20.9 m -112.21 173.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -97.02 177.85 5.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.65 ' HG3' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -71.92 -11.17 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.33 -14.5 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 14.9 t80 -72.6 -44.09 62.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.853 HD13 ' SD ' ' A' ' 32' ' ' MET . 22.2 mt -63.18 -52.21 63.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -53.99 -19.62 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -96.83 -57.07 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG1' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.83 -35.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.494 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.4 p -79.84 -29.79 40.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -136.11 70.53 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 13.1 t -169.31 143.16 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 87' ' ' THR . 5.4 t -108.05 39.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.74 163.29 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.7 m -77.13 145.8 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.699 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.7 mm? -46.34 -58.72 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -40.71 -62.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.81 -52.08 63.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.65 -52.52 17.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -55.29 -52.77 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 98' ' ' ILE . 8.5 mp -59.32 -45.7 90.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -13.02 46.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.544 ' O ' HG12 ' A' ' 75' ' ' VAL . 68.7 m-70 -140.84 42.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -97.4 121.42 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' SER . 45.6 mt -95.36 -27.42 15.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.2 p -98.11 169.54 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.53 -8.92 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 13.9 p90 -104.23 -163.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 80.27 60.29 2.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' GLU . . . -85.04 103.95 14.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER 34.3 -150.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 107' ' ' LYS . 10.9 p -170.76 168.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 106' ' ' VAL . 9.4 tptp -128.36 109.12 11.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.2 t -135.16 117.64 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -107.97 -123.03 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 143.62 29.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 p -61.67 -63.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.07 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -92.98 -61.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m 63.02 165.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.6 147.0 17.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -172.9 131.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.16 160.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 179.35 16.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -91.57 90.44 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.8 mtmm -121.79 97.7 46.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -33.4 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.621 HD21 HG11 ' A' ' 83' ' ' VAL . 1.3 mm? -96.04 0.94 52.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -45.75 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.1 t-20 83.07 53.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 89.6 mtp -153.93 124.71 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 42.5 mtmt -84.96 122.81 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.783 HD13 HG23 ' A' ' 33' ' ' ILE . 2.5 mp -106.28 135.18 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.901 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -108.55 162.17 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.8 p -138.62 148.04 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.768 HD13 ' HE1' ' A' ' 64' ' ' MET . 0.3 OUTLIER -140.52 151.43 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.94 -157.29 51.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 119.62 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.42 173.17 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -59.81 -45.48 92.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -84.53 -178.86 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 1.4 p30 -106.37 145.36 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -39.91 -35.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -61.73 -62.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 4.1 mm-40 -46.3 -54.49 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.927 HG12 ' CD1' ' A' ' 33' ' ' ILE . 83.9 t -63.05 -41.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 12.9 tttt -58.26 -32.13 68.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.28 -44.83 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.661 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 mmm -60.74 -36.2 78.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.927 ' CD1' HG12 ' A' ' 29' ' ' VAL . 29.8 mt -74.39 -25.34 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.86 -55.73 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -46.59 63.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 32' ' ' MET . 23.7 mt -54.51 -41.79 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.18 -10.82 3.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -84.93 -160.05 31.83 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -160.31 129.0 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.762 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.59 137.85 42.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.901 HG23 HD23 ' A' ' 17' ' ' LEU . 4.2 t -127.02 169.32 13.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.2 -44.08 2.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.585 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.7 m -76.03 165.5 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -99.9 -47.15 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.92 -35.55 75.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -91.93 37.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.52 155.95 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -103.95 -31.37 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.6 tp -130.61 162.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.3 t -137.81 123.69 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.77 95.12 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.8 t -126.84 -171.63 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . 44.3 p -115.6 158.39 22.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -56.31 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.4 mttp -41.36 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CD ' HD22 ' A' ' 19' ' ' LEU . 1.7 mm-40 -36.72 -65.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' THR . 21.6 t -45.79 -54.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.09 -26.5 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmtt -80.24 -29.07 38.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 52.26 33.24 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.69 173.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 11.8 mttt -53.84 -51.53 63.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -48.14 -28.45 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.768 ' HE1' HD13 ' A' ' 19' ' ' LEU . 38.1 tpp -95.41 -19.93 19.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 2.7 pt-20 -78.0 -33.7 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -91.08 -26.69 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -71.43 -20.5 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 2.0 mm-40 -86.85 -37.81 17.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.71 11.12 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t30 44.05 60.09 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' A' ' 67' ' ' VAL . 57.8 mt -107.82 108.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -52.59 132.49 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.5 t -103.37 114.83 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 16.7 m -112.27 172.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HD11 ' A' ' 99' ' ' LEU . 13.6 p -84.29 -173.92 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -46.63 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -41.36 -33.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.16 -35.45 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 29' ' ' VAL . 41.1 mt -67.08 -56.83 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -54.2 -19.53 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -93.34 -45.67 7.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.09 -16.92 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.544 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.9 t -106.31 2.25 26.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.77 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 4.9 t -169.87 126.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 p -89.12 42.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.66 143.44 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 m -63.55 135.47 56.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.0 mm? -40.22 -62.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.93 -43.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.8 mm-40 -71.05 -54.1 12.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -47.85 -47.32 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.8 m-30 -55.06 -54.48 42.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -28.1 68.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.66 -7.21 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 90.8 m-70 -150.57 37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.64 121.52 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 52' ' ' SER . 95.9 mt -95.88 -27.3 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.538 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 76.7 p -96.83 173.66 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 0.11 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 30.0 p90 -113.13 -163.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.019 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . 86.41 56.96 2.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 103' ' ' GLY . . . 70.04 158.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 105' ' ' GLU . 1.7 pt-20 -160.74 67.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 p -138.05 158.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -90.16 142.75 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.77 97.1 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.2 t -48.44 138.5 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 162.16 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.92 140.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.72 163.74 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.58 165.88 44.83 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -174.83 146.45 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 0.807 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.7 152.45 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.63 140.52 9.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 57.84 -167.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.4 mttt 51.52 92.29 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.595 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -37.02 2.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 83' ' ' VAL . 2.1 mm? -84.34 -22.63 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.524 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -31.08 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' SER . 5.5 t-20 83.23 54.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 50.6 mtp -158.4 128.3 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.26 19.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.723 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.1 mp -95.55 139.96 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -122.1 151.56 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.872 HG21 HG11 ' A' ' 29' ' ' VAL . 41.4 p -124.98 141.26 52.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' C ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -126.05 165.68 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.76 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 54.14 -158.56 5.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.35 124.56 51.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.99 172.17 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -43.32 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.39 176.6 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 2.3 p30 -105.77 152.83 22.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -40.63 -47.32 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -52.97 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 3.6 mm-40 -45.0 -55.82 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 18' ' ' THR . 90.4 t -59.97 -39.89 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LYS . 11.1 tttt -62.63 -35.6 80.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -57.71 -67.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.677 HG23 HD13 ' A' ' 16' ' ' ILE . 20.1 mt -45.71 -30.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.15 -39.89 39.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.832 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -61.24 -49.51 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.832 HD22 ' HD2' ' A' ' 35' ' ' LYS . 2.2 mm? -55.14 -39.79 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.88 -8.23 4.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.81 -162.14 33.2 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -154.98 131.57 10.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -75.03 140.55 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -123.96 169.8 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.83 -46.59 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.419 1.074 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -77.82 142.46 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -82.87 -38.65 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -63.12 -18.59 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.26 44.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.35 160.28 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.3 m -111.49 -29.37 7.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.5 tp -130.91 160.97 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 67' ' ' VAL . 37.1 t -143.11 118.12 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 75' ' ' VAL . 62.6 mt -103.49 94.76 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.793 ' O ' HD12 ' A' ' 99' ' ' LEU . 8.3 t -125.5 -172.16 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -112.97 156.69 22.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -55.17 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' GLU . 14.1 mttt -45.32 -65.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -37.4 -66.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.36 -41.88 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.1 mt-10 -68.03 -27.79 66.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.2 mmmm -71.11 -34.88 71.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.485 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.3 mmt 57.82 20.32 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 64' ' ' MET . 47.6 p-10 -58.41 167.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -43.26 -56.39 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.761 ' C ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -43.15 -40.98 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.499 ' HE2' HD13 ' A' ' 19' ' ' LEU . 37.5 tpp -82.54 -26.75 32.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -67.5 -37.29 82.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 17.6 mm-40 -64.31 -30.36 71.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' A' ' 72' ' ' ILE . 84.0 t -82.79 -30.93 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -70.21 -50.97 34.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 6.4 pt-20 -53.08 -45.97 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -82.43 7.24 14.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' ALA . 3.3 t-20 39.08 69.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' A' ' 67' ' ' VAL . 50.5 mt -112.83 115.03 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -51.63 125.67 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 HG22 HG11 ' A' ' 67' ' ' VAL . 16.5 t -97.71 131.77 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -125.77 177.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t -97.44 179.54 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -20.08 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -21.39 66.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.413 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 20.8 t80 -60.2 -46.91 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.65 -40.81 96.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.5 tp60 -65.86 -18.42 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.41 -51.43 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -51.03 -34.32 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -86.35 -23.77 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -134.15 64.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -179.56 116.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 87' ' ' THR . 10.7 t -89.89 43.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -103.04 157.85 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.2 m -64.39 132.73 50.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.3 mm? -39.85 -58.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -39.59 -60.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.17 -48.27 71.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' LEU . 22.5 mt -52.32 -49.89 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.0 m-30 -56.13 -53.49 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 98' ' ' ILE . 9.2 mp -59.5 -44.57 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.21 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 86.1 m-70 -142.14 43.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -96.81 122.0 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 52' ' ' SER . 35.1 mt -97.57 -18.29 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.8 p -109.37 171.76 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.93 -11.03 16.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -100.26 -166.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.428 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 107.02 -80.91 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.25 156.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -44.13 129.29 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.9 p -171.13 126.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.84 99.0 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -141.26 95.09 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.53 87.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.41 82.89 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -58.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -177.64 124.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -173.75 115.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.3 -118.84 2.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -173.96 129.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -167.53 154.26 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.04 67.18 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.16 100.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -134.64 81.06 48.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.987 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -74.94 -16.85 20.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD21 ' HZ ' ' A' ' 79' ' ' PHE . 24.4 mt -107.37 -15.66 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -33.73 105.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 86.71 54.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 56.6 mtp -157.93 144.52 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -104.58 109.27 21.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.891 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -95.24 136.09 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -122.69 148.32 45.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -121.92 149.08 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.469 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -140.18 135.15 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -148.8 29.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 128.39 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.53 165.9 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.23 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -89.34 174.11 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.09 149.56 23.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -51.49 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -54.01 -62.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -40.99 -40.07 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -76.1 -54.14 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -47.38 -32.65 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.1 -54.14 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.2 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.959 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.6 mt -59.97 -34.97 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -45.87 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -31.33 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 80' ' ' LEU . 37.1 mt -81.63 5.13 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.38 -9.31 64.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.99 -177.08 39.06 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.98 133.94 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.959 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -86.78 137.4 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 17' ' ' LEU . 5.3 t -128.48 167.64 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -96.83 -41.47 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 17' ' ' LEU . 95.0 m -78.37 148.17 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -91.96 -41.93 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.96 -12.69 39.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -117.86 41.37 2.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.85 159.33 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -101.68 -30.2 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 75' ' ' VAL . 12.5 tp -145.98 159.61 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -130.06 147.06 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 47.5 mt -127.64 98.75 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.787 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.4 t -133.29 -172.67 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -103.85 -176.51 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -34.36 49.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' LYS . 14.4 tttt -59.2 -57.26 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -49.37 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -48.66 -35.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.17 -26.16 55.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -78.53 -38.98 39.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 59.47 56.18 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -81.53 168.59 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -49.51 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.899 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.4 mttm -52.92 -48.99 66.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 52.7 tpp -67.11 -30.18 70.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.69 84.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.9 mm-40 -53.84 -37.83 64.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.745 HG13 ' HB ' ' A' ' 72' ' ' ILE . 35.2 t -69.61 -39.39 78.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE3' ' A' ' 60' ' ' MET . 38.3 tttm -65.83 -42.03 91.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.73 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.37 8.34 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 25.9 t30 40.4 58.0 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.745 ' HB ' HG13 ' A' ' 67' ' ' VAL . 69.8 mt -100.9 113.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -51.54 121.02 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.511 HG22 HG11 ' A' ' 67' ' ' VAL . 3.5 t -94.62 114.46 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HA ' ' A' ' 94' ' ' PHE . 27.6 m -115.88 170.87 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 178.1 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 4.3 tt0 -85.97 -7.02 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.33 -29.84 64.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -49.38 -32.05 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 36' ' ' LEU . 78.7 mt -67.53 -47.96 68.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.3 -37.47 83.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.77 ' HB3' HD11 ' A' ' 93' ' ' LEU . 1.7 m-20 -78.82 -66.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 79' ' ' PHE . 7.2 p -40.26 -38.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 36' ' ' LEU . 10.2 t -75.48 -41.92 54.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -133.07 71.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' ASP . 46.9 t -149.77 144.43 26.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.4 p -91.11 30.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.43 143.42 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.4 m -69.05 159.47 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.987 HD11 ' CB ' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -49.87 -48.74 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -46.98 -33.05 4.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.56 -64.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 82' ' ' ASP . 3.8 mm? -44.33 -55.57 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.785 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.3 m-30 -43.25 -29.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.56 -38.16 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.67 2.19 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.578 ' HD2' HD12 ' A' ' 93' ' ' LEU . 78.5 m-70 -148.55 29.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -78.66 124.0 36.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 52' ' ' SER . 17.6 mt -103.31 -13.76 16.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -114.77 172.38 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.23 3.25 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 71' ' ' ASN . 10.5 p90 -121.73 -168.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.616 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . 96.07 42.57 3.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 103' ' ' GLY . . . 77.84 155.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.37 125.77 20.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 5.2 p -158.4 140.48 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -174.63 98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.04 90.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.75 107.08 0.92 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.96 14.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.2 p -150.4 129.1 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.37 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -168.05 161.92 12.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 0.811 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 136.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.92 -179.04 19.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 61.42 125.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -158.86 134.86 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.16 178.29 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 65.49 -175.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 11.6 mttt 54.58 95.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.96 -27.29 10.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.29 0.32 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -46.69 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' SER . 10.1 t-20 85.27 54.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -158.71 132.83 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.724 ' C ' HD12 ' A' ' 16' ' ' ILE . 16.3 mtmt -90.6 129.84 36.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.809 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.0 mp -115.77 142.12 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 50' ' ' CYS . 0.9 OUTLIER -118.74 151.44 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -123.98 142.31 51.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.773 HD21 ' CB ' ' A' ' 63' ' ' LYS . 1.2 mt -134.89 134.16 40.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.56 -175.04 53.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 129.78 38.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.71 170.81 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -47.17 65.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -91.93 177.69 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.2 m-20 -94.71 150.6 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 4.7 tptt -39.84 -64.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.19 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.95 -39.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 33' ' ' ILE . 86.3 t -77.87 -52.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -48.0 -31.04 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -52.26 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.582 ' HE3' HD11 ' A' ' 36' ' ' LEU . 2.1 mmm -54.0 -50.08 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.723 ' CG2' HD13 ' A' ' 16' ' ' ILE . 40.7 mt -59.41 -26.44 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.29 -56.93 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -49.07 51.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' HE3' ' A' ' 32' ' ' MET . 15.7 mt -52.11 -43.02 63.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.54 -11.53 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.0 -162.09 31.83 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -158.13 132.71 8.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -76.9 137.76 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HD12 ' A' ' 17' ' ' LEU . 7.0 t -127.61 163.99 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -99.3 -37.62 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 17' ' ' LEU . 85.2 m -85.49 145.01 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.76 -53.17 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -21.79 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.83 46.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.72 160.11 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -109.55 -30.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 49' ' ' LEU . 7.0 tp -132.75 157.78 44.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.8 t -136.91 115.6 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 mt -102.69 94.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.1 t -124.72 -172.12 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.3 p -116.09 153.93 30.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -44.34 -57.33 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -40.56 -66.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -40.22 -61.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' THR . 11.5 t -49.44 -37.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.5 mm-40 -71.83 -27.39 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -78.4 -36.11 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 57.36 54.6 6.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.77 168.87 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.4 -43.16 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.773 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.9 mmtp -56.74 -51.85 67.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 47.8 tpp -68.24 -15.79 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt-10 -80.08 -35.29 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.7 mm-40 -65.54 -23.19 66.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -94.44 -29.19 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -66.18 -23.2 66.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 3.4 mt-10 -84.49 -44.17 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.29 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 0.8 OUTLIER 48.33 67.58 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ARG . 18.5 mt -100.96 98.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -34.39 109.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.516 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 12.6 t -87.44 115.08 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 25.8 m -118.55 173.01 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.76 -177.14 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -31.62 40.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.69 -22.66 9.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 8.3 t80 -59.21 -46.33 88.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HA ' HG12 ' A' ' 83' ' ' VAL . 33.7 mt -57.54 -44.43 85.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -58.84 -31.74 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.654 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.1 -55.55 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -54.45 -22.96 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.461 ' CB ' HD21 ' A' ' 36' ' ' LEU . 22.6 t -93.85 -26.45 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.44 70.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 7.3 t -163.97 126.25 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -89.58 39.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.57 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 m -64.01 142.42 58.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.815 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -50.74 -48.84 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -52.36 -40.14 61.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.16 -61.24 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 82' ' ' ASP . 93.6 mt -43.01 -46.55 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.815 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 12.0 m-30 -54.39 -54.9 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 ' OE1' ' A' ' 91' ' ' GLN . 1.2 mt -67.75 -28.39 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.56 1.11 47.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 95.8 m-70 -151.91 36.23 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.667 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.572 HD12 ' HD3' ' A' ' 73' ' ' ARG . 1.1 tp -89.92 127.65 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 52' ' ' SER . 22.1 mt -104.34 -17.92 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 98' ' ' ILE . 20.0 p -114.23 170.79 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -28.61 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 29.1 p90 -81.8 -168.91 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 73' ' ' ARG . . . 103.88 67.96 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.4 134.95 16.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 42.06 90.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 m -90.33 19.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tttm 57.74 61.81 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.99 134.66 52.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.71 -85.74 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.02 42.33 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.2 p -166.9 -61.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -54.73 -56.93 14.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -170.54 144.88 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.4 168.21 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.33 173.54 21.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -134.19 171.68 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.06 169.27 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.19 -167.48 22.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.52 96.55 8.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 10.5 mtmt -135.42 81.38 43.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -18.0 18.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -110.42 -0.9 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -44.41 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.3 t-20 88.81 52.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 62.1 mtp -155.23 124.71 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 16' ' ' ILE . 18.6 mtmt -85.83 117.37 24.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -100.52 138.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -112.56 160.55 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.679 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.7 p -141.42 152.16 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.848 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.6 mt -136.53 175.11 9.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.19 -108.54 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 134.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.782 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -97.79 -166.28 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -19.88 60.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -102.8 -178.21 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.36 152.32 20.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -45.4 -44.39 11.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.18 -64.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -40.07 -36.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 33' ' ' ILE . 78.8 t -80.16 -54.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HB2' HD13 ' A' ' 40' ' ' LEU . 18.6 tttm -47.73 -34.69 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.64 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 84' ' ' SER . 0.4 OUTLIER -58.57 -53.51 57.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 29' ' ' VAL . 10.1 mt -53.48 -31.85 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.26 -44.82 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.68 69.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CB ' HD23 ' A' ' 11' ' ' LEU . 37.6 mt -82.01 4.67 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -14.61 62.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -76.9 -161.64 13.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -162.77 127.53 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 30' ' ' LYS . 6.6 tt -74.36 149.21 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.905 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -138.72 166.73 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.08 3.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.4 m -77.96 166.0 23.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -101.33 -49.07 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -57.32 -34.34 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.2 OUTLIER -91.73 37.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -133.71 163.65 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -109.11 -24.38 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.0 tp -147.85 160.85 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.647 ' H ' HD12 ' A' ' 49' ' ' LEU . 20.8 t -126.07 146.08 50.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.5 HD12 HG21 ' A' ' 16' ' ' ILE . 65.9 mt -133.55 94.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.08 -171.45 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.2 p -113.44 169.44 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -54.93 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -45.91 -51.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -53.5 -66.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.442 HG22 HG11 ' A' ' 74' ' ' VAL . 98.1 t -46.22 -27.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.68 -39.58 57.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -59.43 -50.0 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.7 mmt 62.76 37.73 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.73 -170.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.76 98.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.848 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -56.41 -61.26 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 40.0 tpp -59.52 -17.86 35.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 mm-40 -79.94 -30.47 39.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -69.14 -23.46 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -26.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 34.7 tttm -72.06 -20.55 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mm-40 -84.63 -43.42 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.95 -2.41 57.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.85 63.13 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 24.2 mt -103.54 104.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -41.71 133.74 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 4.3 t -107.29 117.22 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 98' ' ' ILE . 33.0 m -118.88 171.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.73 172.03 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 1.6 tm-20 -66.48 -26.81 67.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.39 -31.45 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -45.05 -51.54 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 83' ' ' VAL . 16.4 mt -58.49 -41.86 86.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -62.36 -19.89 63.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.68 -53.26 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -54.23 -30.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 5.2 t -86.66 -25.13 25.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.3 64.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.1 t -177.2 120.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 87' ' ' THR . 4.0 t -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 158.53 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -70.06 133.26 47.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.3 mm? -40.38 -59.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -39.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.8 mm-40 -75.42 -49.83 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 30.4 mt -52.2 -50.41 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.634 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.8 m-85 -52.98 -54.65 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -27.47 68.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.95 -8.92 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -150.07 37.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -87.47 121.84 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.4 mt -95.39 -27.06 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.6 p -99.95 167.0 10.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.49 -17.43 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 12.5 p90 -91.95 -164.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 90.84 58.81 1.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.82 139.17 39.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.52 126.85 8.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -170.6 35.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.36 125.79 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.87 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -175.7 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.76 8.11 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -82.56 142.3 31.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -64.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -143.67 123.45 13.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.99 136.0 45.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.27 168.95 22.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 60.49 76.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p 178.22 146.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.88 82.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -145.61 73.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.535 ' HG2' ' CA ' ' A' ' 37' ' ' GLY . 9.8 mtpt -133.08 101.79 13.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 -30.05 7.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.638 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -101.44 18.08 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.529 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.65 107.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 12' ' ' SER . 16.6 t30 83.58 54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.409 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -163.81 127.74 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.2 mttp -88.76 128.19 35.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.782 HD13 HG23 ' A' ' 33' ' ' ILE . 1.8 mp -108.46 139.37 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.849 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -107.12 160.87 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.673 ' N ' HD13 ' A' ' 17' ' ' LEU . 82.2 p -142.45 145.25 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.31 175.42 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.38 -110.67 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.71 135.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.765 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -95.96 -166.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -22.44 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -97.24 177.37 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -93.62 148.81 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -50.69 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -64.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.1 -40.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -76.65 -55.06 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -46.7 -34.45 5.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -67.98 -53.9 22.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.504 ' O ' HD22 ' A' ' 36' ' ' LEU . 17.0 mmm -52.18 -61.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.782 HG23 HD13 ' A' ' 16' ' ' ILE . 79.1 mt -47.18 -37.33 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.83 -29.9 56.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -76.87 -42.56 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.638 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.9 mm? -60.72 -16.04 35.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' CA ' ' HG2' ' A' ' 9' ' ' LYS . . . 112.37 -8.34 26.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.14 -157.46 29.56 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.6 mttt -161.99 132.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.31 132.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.849 HG23 HD23 ' A' ' 17' ' ' LEU . 5.4 t -123.18 167.34 13.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 -44.7 2.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.0 m -77.73 148.75 34.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . . . -90.42 -38.72 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 1.3 m-20 -66.22 -18.1 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -111.96 39.55 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.3 159.03 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -105.8 -28.42 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.9 tp -132.02 160.13 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.0 t -134.99 119.6 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mt -109.37 95.78 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -130.17 -172.0 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.5 p -111.06 156.49 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -56.23 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -44.43 -51.11 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -52.51 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 57.1 t -46.23 -27.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.86 -37.5 34.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -56.55 -52.32 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt 61.62 43.69 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.99 -173.11 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -51.29 63.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -49.96 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.0 mm-40 -48.67 -36.89 17.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 72' ' ' ILE . 24.9 t -71.48 -49.06 49.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -60.47 -34.9 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.34 -44.97 86.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -86.71 11.23 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 12.3 t30 39.16 61.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 67' ' ' VAL . 49.9 mt -105.09 118.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 73' ' ' ARG . 7.9 ptp85 -55.35 121.33 8.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.499 HG22 HG11 ' A' ' 67' ' ' VAL . 20.8 t -93.12 128.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 29.0 m -125.1 171.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -90.8 168.0 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.52 -22.75 66.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.8 m-20 -57.81 -46.37 84.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.15 -39.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.2 -50.93 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . 4.7 tp60 -58.49 -25.88 62.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -86.95 -56.42 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.51 -36.84 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -78.05 -33.03 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.0 67.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.9 t -175.24 125.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -95.23 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -108.01 150.33 27.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 135.62 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mm? -39.98 -62.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.478 ' O ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -38.25 -54.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -56.09 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 82' ' ' ASP . 12.7 mt -43.26 -48.17 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 90' ' ' LEU . 19.8 m-30 -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 91' ' ' GLN . 1.5 mm? -57.82 -29.26 64.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.11 -20.08 57.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 67.7 m-70 -140.46 47.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.38 121.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 52' ' ' SER . 35.7 mt -96.63 -24.17 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.497 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.3 p -104.93 166.44 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.38 1.75 33.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.1 p90 -111.94 -164.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 93.97 63.26 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -138.33 -172.83 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.86 132.89 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG22 ' H ' ' A' ' 107' ' ' LYS . 2.4 p -172.72 171.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 106' ' ' VAL . 6.7 tmtm? -73.73 89.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.7 p -178.81 -175.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.35 88.53 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.37 18.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.9 m 43.06 86.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.8 p -141.26 79.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -74.38 157.76 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.21 123.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.54 171.87 31.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -178.06 163.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.01 168.49 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.06 74.2 2.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -160.59 176.45 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 2.6 mtmp? 64.8 85.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.5 Cg_endo -74.94 -32.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' MET . 46.3 mt -85.7 -14.9 44.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -39.72 96.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 12' ' ' SER . 8.1 t-20 93.37 48.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -159.52 131.03 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.617 ' C ' HD12 ' A' ' 16' ' ' ILE . 28.9 mttt -91.93 129.97 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.769 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.6 mp -113.55 127.28 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.93 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -103.31 160.7 14.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.722 ' N ' HD13 ' A' ' 17' ' ' LEU . 74.9 p -138.81 148.71 44.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.924 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -132.34 175.45 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.32 -134.08 1.75 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 139.35 40.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 mt -107.92 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -85.28 172.57 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -86.86 147.49 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -50.12 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -63.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -39.18 -42.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -74.81 -56.14 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -43.63 -33.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -48.7 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.88 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.952 ' CD1' HD12 ' A' ' 40' ' ' LEU . 63.4 mt -70.64 -29.16 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -82.67 -48.95 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -35.62 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.3 mt -72.61 -3.47 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.32 -9.56 71.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -77.73 -167.56 29.74 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.9 mtmt -155.18 123.34 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.64 139.62 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -123.02 169.94 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.11 -47.75 2.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.4 m -79.96 160.53 25.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.382 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' HG12 ' A' ' 67' ' ' VAL . . . -93.34 -43.67 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -14.91 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 42.34 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -136.75 152.96 50.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -94.05 -32.91 13.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.542 HD11 HG22 ' A' ' 75' ' ' VAL . 5.7 tp -143.99 154.5 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.3 t -115.79 136.48 53.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.6 mt -122.62 95.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -133.73 -171.63 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.7 p -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.468 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.09 -55.12 34.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 6.7 tptm -39.48 -66.63 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.4 tm-20 -39.46 -62.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' THR . 12.2 t -49.11 -38.39 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.8 mt-10 -72.67 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -83.37 -37.38 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.5 mmt 58.78 56.47 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -72.84 172.39 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -49.47 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.924 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.28 -49.38 67.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.498 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 48.7 tpp -72.19 -15.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 2.4 mt-10 -84.12 -12.57 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.45 -31.1 18.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG12 ' HB1' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -79.98 -31.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -65.36 -27.89 68.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -78.65 -39.16 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 8.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.07 49.82 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.78 109.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.59 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.0 ptp180 -54.54 124.96 17.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 67' ' ' VAL . 3.9 t -92.52 115.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 49' ' ' LEU . 15.1 m -116.86 172.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -91.71 -173.86 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -78.61 -29.22 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -46.93 -44.13 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.0 t80 -43.98 -36.86 2.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.654 ' HA ' HG12 ' A' ' 83' ' ' VAL . 49.8 mt -67.46 -44.41 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.5 tp60 -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -89.23 -58.06 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 80' ' ' LEU . 5.5 p -49.86 -27.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.407 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -90.16 -35.38 15.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.04 64.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 29.7 t -140.19 159.23 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.9 p -119.64 15.84 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -114.5 -170.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.3 m -98.44 148.47 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -39.93 -50.17 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.77 -39.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.9 mm-40 -69.27 -68.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -38.41 -53.67 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 9.4 m-85 -47.66 -56.77 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 98' ' ' ILE . 2.1 mt -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -78.21 1.71 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 79.7 m-70 -150.39 29.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -83.58 122.69 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 52' ' ' SER . 33.8 mt -99.85 -22.56 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.44 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.0 p -106.9 174.09 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.93 -12.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.3 p90 -101.99 -165.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.13 57.35 1.91 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.75 115.78 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.79 . . . . 0.0 109.343 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.99 163.07 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 106' ' ' VAL . 92.2 t -146.23 66.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.47 174.49 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 107.79 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.28 166.31 11.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.34 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t 66.66 81.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.85 80.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -143.84 158.37 43.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -109.6 -62.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.97 164.27 39.07 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.24 171.35 9.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -169.46 150.53 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 178.91 24.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.34 100.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 9.1 mtmt -135.63 81.66 41.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.02 -16.98 19.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.6 mt -104.75 -19.0 14.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -34.61 106.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.8 t30 83.85 54.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 51.4 mtp -159.24 125.78 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' C ' HD12 ' A' ' 16' ' ' ILE . 35.2 mtmt -88.81 110.52 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -95.91 138.41 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.927 HD13 ' N ' ' A' ' 18' ' ' THR . 2.5 tm? -115.22 159.18 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.927 ' N ' HD13 ' A' ' 17' ' ' LEU . 13.9 p -132.62 126.85 33.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -113.11 117.44 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -112.72 4.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -176.7 138.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.809 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.71 -171.91 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -18.35 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -103.28 -177.46 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -98.56 151.21 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -50.25 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.72 -65.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.1 -37.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 33' ' ' ILE . 88.4 t -78.76 -55.05 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.4 ttmt -48.71 -31.67 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.57 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -54.73 38.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.673 ' CD1' HD12 ' A' ' 40' ' ' LEU . 14.2 mt -52.04 -32.1 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.63 -50.21 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.14 63.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.9 mt -81.65 4.68 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.83 -16.55 56.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -71.48 -163.63 5.85 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.23 131.12 5.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD12 ' CD1' ' A' ' 33' ' ' ILE . 5.9 tt -80.87 153.97 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.874 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 t -138.26 168.11 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.4 -40.39 3.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -83.37 163.41 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -99.12 -54.73 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 11.2 t30 -51.83 -28.95 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -99.3 41.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -139.74 150.98 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 m -97.93 -22.48 16.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mt -136.58 168.59 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.46 124.94 13.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HG22 ' A' ' 18' ' ' THR . 34.1 mt -111.42 95.66 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.696 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.5 t -128.13 -171.63 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 99' ' ' LEU . 27.8 p -114.33 173.13 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -62.81 -43.56 98.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -53.67 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -51.3 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.35 -22.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.47 -31.02 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -73.05 -37.05 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.475 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 mmt 54.08 53.09 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 22.3 t30 -86.61 165.46 16.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -39.65 -39.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.894 ' CB ' HD21 ' A' ' 19' ' ' LEU . 1.1 mmmt -55.02 -62.36 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 31.7 tpp -57.87 -21.81 44.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.72 -28.31 58.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.1 mm-40 -70.81 -25.16 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -96.8 -27.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -74.77 -19.99 59.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 7.8 pt-20 -81.7 -45.99 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -85.13 10.68 11.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 17.8 t30 44.2 65.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 28.7 mt -108.43 101.57 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.6 ptp85 -42.5 127.69 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.621 HG22 HG21 ' A' ' 67' ' ' VAL . 4.5 t -101.33 126.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 33.4 m -123.87 174.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.53 175.5 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -68.38 -31.7 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 m-20 -50.74 -40.13 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.4 t80 -37.01 -54.06 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' HA ' HG12 ' A' ' 83' ' ' VAL . 14.6 mt -55.2 -48.13 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -57.76 -21.19 40.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -94.08 -58.22 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -48.04 -36.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.06 -32.57 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -131.49 69.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -178.92 115.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 87' ' ' THR . 11.1 t -87.71 46.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.39 161.72 13.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -63.55 137.59 58.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.63 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -48.4 -56.64 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 7.0 mp0 -50.44 -49.33 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.32 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 93' ' ' LEU . 24.0 mt -47.09 -48.94 22.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.5 m-30 -55.38 -53.15 59.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.12 -34.25 74.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.77 -8.31 54.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -150.05 40.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.59 122.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 52' ' ' SER . 80.3 mt -97.6 -18.1 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 165.29 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -4.45 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -104.16 -163.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.78 59.4 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 61.13 156.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.86 149.59 24.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 83.3 t -66.94 125.84 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 70.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.73 -59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.12 149.77 3.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 79.14 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -69.07 142.31 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -159.17 -61.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 147.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -95.53 146.18 24.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.69 144.45 4.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -146.0 139.65 26.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.955 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.8 158.2 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 63.85 0.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.44 86.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 11.0 mtmt -137.03 82.47 30.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CB ' HG22 ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -20.95 16.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.8 mm? -109.16 2.32 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -45.23 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.2 t30 87.32 54.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 16' ' ' ILE . 38.3 mtp -154.42 129.03 9.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 22.1 mtpt -88.11 111.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.883 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -97.01 134.43 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.883 HD23 HG23 ' A' ' 41' ' ' THR . 1.6 tm? -113.9 158.85 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.802 ' N ' HD13 ' A' ' 17' ' ' LEU . 63.0 p -138.25 134.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 -98.41 1.09 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' HD22 ' A' ' 22' ' ' LEU . 1.4 ttpm? 176.99 139.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -91.88 -164.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -74.62 -26.34 59.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -97.52 -178.36 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -92.34 148.39 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -41.23 -60.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.39 -64.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.98 -44.24 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.6 t -73.16 -56.33 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -43.76 -34.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.95 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.404 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -53.15 -50.3 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 HD13 ' A' ' 16' ' ' ILE . 74.6 mt -55.37 -34.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.96 -46.53 18.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -29.68 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HB3' HD23 ' A' ' 11' ' ' LEU . 54.1 mt -79.77 1.69 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 -14.63 64.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.13 -165.4 14.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.7 mmtp -158.8 123.93 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.28 137.98 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.883 HG23 HD23 ' A' ' 17' ' ' LEU . 3.6 t -125.89 169.78 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.76 -46.63 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 44' ' ' ALA . 52.8 m -73.33 169.18 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 43' ' ' THR . . . -107.62 -48.8 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -61.93 -14.48 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.17 37.98 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -132.06 153.1 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -91.4 -31.48 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 50' ' ' CYS . 17.8 tp -145.3 161.33 39.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' H ' HD12 ' A' ' 49' ' ' LEU . 53.3 t -122.88 139.9 53.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 16' ' ' ILE . 63.5 mt -129.26 93.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.797 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.5 t -127.87 -171.51 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 32.5 p -111.79 159.08 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' N ' HD13 ' A' ' 99' ' ' LEU . 6.9 tppt? -45.7 -58.27 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -62.62 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.6 mm-40 -42.43 -66.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' MET . 64.6 t -44.69 -44.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.83 -38.05 74.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.47 -48.1 76.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.491 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.2 mmt 64.77 35.28 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.11 -176.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.7 -45.86 88.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.928 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.1 mttt -53.95 -31.07 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.777 ' SD ' HD13 ' A' ' 19' ' ' LEU . 32.1 tpp -92.3 -12.18 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.9 pt-20 -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.82 -26.25 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -27.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 28.4 tttm -70.66 -20.47 62.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.6 mm-40 -87.83 -37.76 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.65 8.73 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 46.26 52.48 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.95 114.17 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -58.28 133.48 55.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.0 t -102.51 123.12 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 51' ' ' ILE . 22.9 m -119.4 173.26 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.93 174.13 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.844 ' HB2' HD12 ' A' ' 22' ' ' LEU . 3.3 tm-20 -61.82 -39.87 93.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.3 m-20 -41.35 -41.9 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -38.07 -48.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 36' ' ' LEU . 19.3 mt -63.56 -46.1 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -58.8 -31.01 68.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.536 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.43 -60.52 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -44.94 -33.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 32' ' ' MET . 6.7 p -80.67 -38.58 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -131.44 70.56 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -170.52 121.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -87.15 43.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -110.17 143.33 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 92' ' ' GLU . 2.5 m -65.16 142.46 58.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.667 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 mm? -42.25 -60.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -43.18 -38.06 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.2 mm-40 -77.46 -51.05 11.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 82' ' ' ASP . 22.8 mt -51.04 -49.31 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -53.08 -54.3 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.37 -28.99 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.2 -4.66 45.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.5 m-70 -152.05 35.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.589 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.96 121.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 52' ' ' SER . 28.1 mt -95.08 -26.46 16.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 78.1 p -98.91 170.87 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 2.51 28.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 16.4 p90 -115.15 -166.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 85.79 66.48 1.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.12 123.63 49.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -168.49 150.48 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 106' ' ' VAL . 9.2 p -116.81 59.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -128.69 64.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.56 99.78 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.02 83.96 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.96 13.62 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.5 p -156.05 167.4 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.3 m -163.09 115.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.61 119.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -173.06 158.94 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.75 -150.17 19.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.95 120.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -172.1 148.68 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.51 110.07 0.34 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.39 86.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 1.5 mtmt -129.21 99.55 21.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.721 ' HG2' HD22 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD23 HD13 ' A' ' 36' ' ' LEU . 2.5 mm? -91.36 6.62 44.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.538 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -47.73 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.1 t-20 82.28 54.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -154.41 131.21 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.752 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.3 mttt -89.39 127.73 35.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.806 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -115.91 136.79 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.75 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.2 tp -115.86 151.61 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 40.9 p -122.94 140.61 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -129.25 131.78 47.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -166.1 51.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -99.66 133.07 44.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.07 165.98 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -49.6 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -86.87 176.47 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -94.12 154.8 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -42.87 -60.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -47.12 -64.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.07 -39.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.4 t -77.22 -54.97 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HB2' HD13 ' A' ' 40' ' ' LEU . 9.5 tttm -46.89 -28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.98 -51.97 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.41 44.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.765 ' CG2' HD13 ' A' ' 16' ' ' ILE . 29.5 mt -55.52 -25.67 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.06 -59.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -49.46 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 84' ' ' SER . 10.5 mt -49.83 -43.28 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.32 -10.45 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.83 -158.47 32.12 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.8 mttt -160.77 134.65 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 30' ' ' LYS . 3.9 tt -74.31 145.82 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.52 HG21 ' HB2' ' A' ' 47' ' ' ALA . 9.4 t -132.08 166.93 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.9 -38.88 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -86.33 146.23 26.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -84.77 -45.44 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -14.54 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -119.71 44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.79 154.93 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -97.11 -29.6 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.729 HD11 HG22 ' A' ' 75' ' ' VAL . 11.7 tp -150.59 158.06 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.75 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -124.13 145.08 49.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.0 mt -128.25 95.13 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.1 t -127.25 -172.01 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 60.3 p -108.1 161.51 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -40.77 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -53.84 -51.78 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' THR . 21.8 t -48.53 -36.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.98 -26.35 56.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -79.71 -30.85 41.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.4 mmt 51.6 58.44 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -83.16 167.82 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.42 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HB2' HD21 ' A' ' 19' ' ' LEU . 21.2 mmtt -52.33 -49.2 64.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.483 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.1 tpp -66.46 -31.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -50.7 72.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.4 mm-40 -51.83 -35.75 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.814 HG13 ' HB ' ' A' ' 72' ' ' ILE . 40.2 t -75.05 -38.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 37.5 tttm -66.48 -40.22 89.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.69 -41.95 91.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -86.49 10.48 15.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.476 ' ND2' ' HB2' ' A' ' 102' ' ' TRP . 1.3 t-20 40.06 54.37 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.814 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.5 mt -98.76 111.29 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -50.53 127.61 18.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 67' ' ' VAL . 3.9 t -100.41 114.93 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 HD11 ' A' ' 49' ' ' LEU . 31.0 m -112.5 168.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.477 ' HA ' HD11 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -81.7 173.13 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.04 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.94 60.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' GLN . 44.6 m-20 -52.85 -38.16 61.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 1.0 ' O ' HG22 ' A' ' 83' ' ' VAL . 59.3 t80 -42.84 -52.81 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 77.2 mt -49.15 -37.56 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.909 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -76.19 -25.28 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -82.57 -54.95 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -54.48 -41.72 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.785 ' CB ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.83 -16.58 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -136.22 59.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.9 t 179.68 134.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.5 p -105.66 35.55 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.47 171.94 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 m -73.48 141.6 46.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 4.0 mm? -52.18 -58.38 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.84 -49.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' LEU . 6.4 mm-40 -59.23 -65.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 68.1 mt -38.18 -54.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.654 ' HE1' HD22 ' A' ' 49' ' ' LEU . 13.4 m-85 -51.67 -48.61 63.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.87 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -65.68 -57.85 7.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -15.46 9.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 75' ' ' VAL . 95.2 m-70 -128.89 35.54 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.87 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -90.45 123.52 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 79.4 mt -99.14 -21.56 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.81 173.14 6.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 -13.56 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.476 ' HB2' ' ND2' ' A' ' 71' ' ' ASN . 12.0 p90 -99.32 -164.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 93.88 64.23 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.79 -171.85 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.9 141.34 58.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -175.37 156.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.1 166.89 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.59 105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.87 -169.72 19.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.07 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 t -176.61 87.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.3 t 63.68 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.55 134.25 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.13 162.85 34.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.28 -161.99 8.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.09 149.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -170.82 115.18 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.69 -126.54 1.91 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -91.17 86.24 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 1.7 mttt -127.6 92.03 44.08 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -75.02 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD11 ' HZ ' ' A' ' 79' ' ' PHE . 2.7 mm? -79.95 -1.55 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.56 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -49.17 108.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' SER . 33.5 t30 85.12 55.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -165.46 128.61 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.619 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -88.46 121.15 30.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.759 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -105.34 138.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 41' ' ' THR . 0.7 OUTLIER -108.48 163.14 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.667 ' N ' HD13 ' A' ' 17' ' ' LEU . 71.0 p -140.81 148.52 40.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -143.76 145.47 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.56 -148.7 44.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -122.81 125.56 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.53 168.56 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.3 t -49.6 -46.55 49.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -89.23 175.98 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -89.15 150.93 22.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -41.07 -61.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -45.6 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.3 -40.87 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.89 -53.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -48.6 -30.07 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.1 mmm -55.63 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.676 HG21 ' HB ' ' A' ' 16' ' ' ILE . 54.4 mt -40.53 -30.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' MET . 6.8 mt-10 -82.33 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.905 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -57.63 -33.87 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.905 HD22 ' HG3' ' A' ' 35' ' ' LYS . 1.7 mm? -77.44 -9.67 59.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.85 -22.94 24.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -65.7 -162.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -161.22 130.23 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.35 136.33 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.902 HG23 HD23 ' A' ' 17' ' ' LEU . 5.1 t -123.7 170.16 10.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.75 -40.57 2.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 46' ' ' LYS . 3.3 m -80.99 145.27 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.762 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -87.37 -45.38 10.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.534 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 7.0 t-20 -66.33 -11.05 48.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 43' ' ' THR . 3.2 tptp -115.93 37.94 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.78 156.23 48.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -93.7 -30.13 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 94' ' ' PHE . 12.0 tp -144.68 159.43 42.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 39.8 t -126.36 135.4 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 108.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.2 mt -119.38 94.13 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -126.46 -171.31 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.7 p -111.05 170.41 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.51 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -46.83 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.764 ' OE2' HD22 ' A' ' 19' ' ' LEU . 1.1 mm-40 -39.93 -63.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' THR . 42.5 t -48.32 -42.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.5 -25.67 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.32 -30.96 30.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.489 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.9 mmt 51.99 56.38 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' MET . 22.8 t-20 -83.91 167.17 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -44.46 -55.74 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.778 ' CB ' HD21 ' A' ' 19' ' ' LEU . 15.7 mmmt -46.08 -33.27 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.489 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 50.5 tpp -88.14 -24.84 23.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.5 pt-20 -67.92 -37.99 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 69' ' ' GLU . 4.9 mm-40 -65.44 -29.93 70.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' A' ' 72' ' ' ILE . 91.4 t -81.28 -30.92 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -73.01 -46.47 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 12.6 pt-20 -55.91 -44.61 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -82.67 5.24 21.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' HB3' HG11 ' A' ' 106' ' ' VAL . 5.9 t30 46.14 55.58 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.799 ' HB ' HG13 ' A' ' 67' ' ' VAL . 97.8 mt -99.04 111.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.4 ptp180 -48.35 125.1 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 67' ' ' VAL . 5.2 t -99.25 114.36 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 HD11 ' A' ' 49' ' ' LEU . 15.5 m -114.25 176.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -173.8 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.18 -34.61 59.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -42.11 -49.48 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.533 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 5.1 t80 -39.17 -37.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 77' ' ' GLU . 39.0 mt -67.38 -51.89 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ASP . 32.6 tp60 -58.06 -25.08 60.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -84.87 -58.5 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -46.32 -35.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 p -79.45 -37.08 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.84 71.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.3 t -149.89 132.13 15.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.6 p -91.78 8.85 35.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.52 -165.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' GLU . 48.8 m -111.59 150.85 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 ' CB ' ' A' ' 10' ' ' PRO . 3.9 mm? -39.85 -56.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.0 -40.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.6 mm-40 -67.46 -68.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' CD1' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -36.13 -54.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 7.6 m-85 -47.07 -57.49 5.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -34.62 75.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.95 1.02 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 87.0 m-70 -151.71 30.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -83.72 122.66 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 52' ' ' SER . 81.9 mt -100.4 -18.45 16.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -112.97 162.05 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -19.86 21.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 10.6 p90 -91.28 -162.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' TRP . . . 90.27 65.77 1.21 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.62 -171.24 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 0.724 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.3 129.37 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' H ' ' A' ' 107' ' ' LYS . 12.4 p -173.47 171.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.517 ' H ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -40.61 -63.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 39.08 78.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 38.44 -144.78 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.74 136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t 59.84 151.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 9.0 mtmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.9 mm? -67.7 -9.89 47.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -38.04 106.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t-20 81.98 54.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.428 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 48.7 mtp -155.76 128.12 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 16' ' ' ILE . 22.2 mttt -91.24 108.5 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -96.21 139.4 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.3 tp -113.64 151.2 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 40' ' ' LEU . 71.0 p -129.94 147.68 51.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.2 mt -140.6 172.46 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 47.43 -147.8 3.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -118.86 130.56 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.22 172.7 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -94.16 177.96 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.1 t30 -92.24 162.11 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -42.5 62.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.74 -62.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -43.04 -36.29 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' ASN . 85.9 t -80.51 -52.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.21 -33.84 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.37 -51.52 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.2 mmm -54.06 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.744 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.1 mt -45.76 -28.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -33.34 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.868 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.48 -34.13 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HG3' ' A' ' 35' ' ' LYS . 2.2 mm? -75.11 -13.66 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.02 -15.98 25.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.67 -161.3 8.25 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -161.25 129.21 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.744 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.95 138.01 42.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -128.79 169.58 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.99 -32.55 4.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.44 ' O ' HD13 ' A' ' 17' ' ' LEU . 53.6 m -86.88 139.66 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.55 -43.55 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -17.16 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -116.56 45.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.08 158.43 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -107.06 -28.53 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.042 HD11 ' CE1' ' A' ' 94' ' ' PHE . 5.3 mt -133.59 170.13 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.6 t -145.09 120.9 10.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.333 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 80' ' ' LEU . 32.6 mt -108.77 95.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.43 -172.11 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -113.5 156.26 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -44.74 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -50.87 64.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.532 ' OE2' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.71 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.4 -27.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.18 -38.77 50.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.62 -49.55 77.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.48 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 62.65 39.37 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -69.41 -173.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -40.33 86.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.81 -60.66 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.48 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 53.4 tpp -58.31 -28.53 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -45.99 92.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.6 mm-40 -54.3 -38.68 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.741 HG13 ' HB ' ' A' ' 72' ' ' ILE . 31.7 t -68.89 -40.02 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 42.7 tttm -68.31 -32.65 72.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.37 -44.33 71.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.47 8.72 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 42.69 64.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.741 ' HB ' HG13 ' A' ' 67' ' ' VAL . 56.7 mt -110.97 115.85 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 3.9 ptm180 -57.01 127.99 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 67' ' ' VAL . 13.1 t -98.94 126.84 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 23.6 m -119.92 173.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 p -87.8 179.49 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -32.73 60.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.24 -25.87 4.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.64 -44.63 81.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' ILE . 34.4 mt -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.77 -21.6 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -93.02 -55.14 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -44.13 -30.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -35.58 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -123.61 61.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -168.6 125.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.6 p -94.19 40.24 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 155.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 m -72.19 141.39 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.4 mm? -44.12 -60.51 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -41.0 -49.09 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.7 mm-40 -66.74 -53.38 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 93' ' ' LEU . 23.3 mt -47.28 -49.25 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.042 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.2 m-30 -54.14 -53.44 53.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.91 -27.51 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.12 -9.74 58.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.3 m-70 -149.7 39.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.45 121.51 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.8 mt -95.59 -27.18 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.0 p -101.18 167.87 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.01 -14.41 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -99.57 -164.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.045 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.475 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CB ' ' CB ' ' A' ' 12' ' ' SER . 4.2 mttt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.702 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 -15.11 20.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' ASN . 13.1 mt -113.18 -5.8 13.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -41.52 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.8 t-20 87.45 51.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.71 131.39 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.743 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.6 mttp -90.48 131.34 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.841 HD13 ' CG2' ' A' ' 33' ' ' ILE . 2.0 mp -116.35 143.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.2 tp -119.14 152.03 37.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -126.5 144.96 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.3 mt -134.89 155.94 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.16 -163.63 3.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -97.26 144.4 27.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 12.3 mt -121.78 174.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -64.78 -44.05 91.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 178.81 5.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -95.02 143.53 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -40.69 -42.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.26 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -40.52 -42.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.656 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.5 t -73.97 -53.61 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -45.09 -41.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.54 -40.31 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.12 -53.06 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 16' ' ' ILE . 27.0 mt -57.74 -27.45 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.98 -52.29 6.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -47.04 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 15.2 mt -54.82 -41.06 70.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.65 -9.41 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -82.53 -157.28 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.87 126.88 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.823 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.43 136.9 42.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -130.16 169.08 15.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -103.65 -31.34 4.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.431 ' O ' HD13 ' A' ' 17' ' ' LEU . 29.5 m -88.12 144.08 26.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' CB ' ' HG3' ' A' ' 66' ' ' GLU . . . -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -24.18 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -110.25 46.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 160.92 39.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -113.62 -27.95 7.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.1 tp -132.87 164.08 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 5.8 t -143.65 120.04 10.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.73 95.99 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.601 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -125.58 -172.64 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -111.48 153.43 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -51.15 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -52.93 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.766 ' OE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.5 -67.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' MET . 55.3 t -43.47 -40.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -57.78 -46.77 84.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 63.46 34.42 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' MET . 63.9 t30 -67.61 170.75 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -47.52 -53.46 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.855 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.1 mmtp -51.84 -25.57 8.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.756 ' HE1' HD13 ' A' ' 19' ' ' LEU . 52.8 tpp -92.0 -34.28 14.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.4 mm-40 -63.73 -42.09 97.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG3' ' CB ' ' A' ' 44' ' ' ALA . 14.3 pt-20 -56.74 -39.82 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.567 HG13 ' HB ' ' A' ' 72' ' ' ILE . 42.6 t -69.92 -36.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 29.7 tttm -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.46 -46.67 88.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.31 2.79 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t30 46.59 63.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.567 ' HB ' HG13 ' A' ' 67' ' ' VAL . 25.3 mt -106.61 108.49 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.439 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 7.9 ptp85 -49.18 126.52 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 23.0 t -97.72 132.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -128.51 172.3 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 p -87.67 -177.98 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -36.21 57.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -49.62 -27.53 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -49.61 -49.65 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 83' ' ' VAL . 54.6 mt -59.35 -38.52 80.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 10.8 tp60 -63.81 -25.61 68.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -93.61 -55.26 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -52.02 -35.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HD21 ' A' ' 36' ' ' LEU . 8.1 t -81.6 -30.38 32.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -131.62 67.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.7 t -179.45 123.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.6 p -90.34 46.35 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.71 154.7 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 m -67.86 135.37 52.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.5 mm? -43.05 -63.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -44.79 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.87 -59.02 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 50.3 mt -44.77 -48.7 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.9 m-30 -53.17 -55.92 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -27.12 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.79 -11.0 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 96.0 m-70 -148.63 44.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.92 121.58 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' SER . 26.5 mt -95.1 -27.36 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.1 p -101.72 165.12 11.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.0 -15.48 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -95.65 -170.85 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.4 mtmt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.606 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.0 -22.75 14.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASN . 18.0 mt -105.57 -5.74 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -39.48 94.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 12' ' ' SER . 11.2 t-20 86.86 49.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.4 mmm -144.31 124.93 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -88.26 107.88 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.5 mp -95.07 140.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -111.26 161.26 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.3 p -138.38 152.2 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.953 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.1 mt -144.66 161.12 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.08 -146.56 39.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 140.23 53.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.74 178.74 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -41.21 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -90.87 -178.18 5.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -98.59 148.5 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -44.62 -33.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -64.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.18 -34.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 80' ' ' LEU . 91.0 t -83.02 -50.63 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -50.97 -29.77 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.47 35.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 0.8 OUTLIER -60.32 -56.24 23.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.691 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.4 mt -53.49 -27.78 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.17 -52.56 6.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.38 66.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mt -57.34 -39.78 76.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.57 -12.97 3.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -79.27 -158.65 14.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.98 128.23 3.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.7 135.21 41.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.685 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -125.12 170.04 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.66 -36.59 5.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 3.1 m -80.38 168.2 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -107.27 -46.46 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.34 -19.04 53.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -107.06 40.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -142.31 151.66 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 33.0 t -97.28 -30.61 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 79' ' ' PHE . 5.9 tp -128.37 160.41 32.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.7 t -136.32 110.59 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.4 mt -95.78 96.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.718 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.3 t -129.37 -172.37 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.4 p -113.73 157.84 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.25 -51.02 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -46.98 -59.79 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -45.76 -61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' THR . 26.0 t -48.94 -34.99 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.04 -28.79 61.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -76.44 -38.58 55.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.0 mmt 57.43 54.15 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 9.4 t30 -74.25 174.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -53.08 -43.73 66.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.953 ' CB ' HD21 ' A' ' 19' ' ' LEU . 14.1 mmtt -56.09 -56.83 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.9 tpp -62.48 -19.05 63.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -78.04 -29.61 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -69.6 -24.95 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.76 -26.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 36.2 tttm -71.72 -20.87 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.7 mm-40 -85.07 -41.49 15.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 9.73 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t30 43.85 61.09 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 46.3 mt -104.65 104.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -45.53 131.42 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 8.6 t -100.53 128.59 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -124.74 172.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.29 177.55 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -14.28 61.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -70.83 -17.47 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.6 t80 -65.26 -41.62 94.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 33.3 tp60 -62.03 -30.91 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.68 -54.98 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -51.77 -28.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 32' ' ' MET . 8.7 t -91.51 -30.94 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -128.16 62.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.2 t -172.3 123.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.5 p -90.22 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -106.46 163.58 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 m -77.45 141.48 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.013 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 mm? -45.01 -59.99 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -48.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.52 -57.34 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 28.0 mt -43.84 -50.34 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.013 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 23.0 m-30 -52.05 -55.17 22.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.86 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 79.7 m-70 -147.08 40.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -90.49 121.88 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 52' ' ' SER . 22.9 mt -94.41 -28.58 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 12.2 p -102.32 177.01 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.88 -14.98 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.408 ' CH2' HG13 ' A' ' 57' ' ' VAL . 14.4 p90 -94.64 -168.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.453 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.6 mtmt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.725 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -74.99 -40.63 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.724 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.8 mm? -80.16 -21.95 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -33.22 107.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 81.67 55.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.589 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.8 mtp -158.98 125.66 4.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -89.49 106.15 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.901 HD13 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -97.31 133.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -111.03 150.88 28.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.426 ' CG2' HD11 ' A' ' 40' ' ' LEU . 75.5 p -125.42 150.75 46.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.862 HD21 ' CB ' ' A' ' 63' ' ' LYS . 2.4 mt -136.68 174.51 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.19 -149.12 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 126.56 48.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 172.27 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -42.84 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -92.39 174.6 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.94 151.29 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -59.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -47.69 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.18 -40.23 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.43 -52.19 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -35.11 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.76 -46.57 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -62.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 16' ' ' ILE . 41.9 mt -49.14 -37.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.48 -30.68 61.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.74 -45.99 66.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.6 mm? -63.77 -11.55 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.42 -11.09 36.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.97 -159.24 8.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.8 mttt -162.64 127.99 3.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.41 137.71 42.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -123.75 169.83 11.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -105.19 -37.15 2.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -86.56 136.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -75.14 -55.99 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -45.72 -38.03 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -96.42 45.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -137.14 156.71 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.9 m -105.77 -31.07 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.5 mt -136.23 169.08 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.9 t -143.87 126.59 16.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.9 mt -114.1 95.06 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -126.73 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -111.65 158.72 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -45.83 -56.35 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -41.6 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 2.4 mm-40 -38.0 -64.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 24.5 t -49.03 -40.65 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.6 mt-10 -69.24 -24.9 64.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 5.8 mmtt -78.74 -32.75 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.7 mmt 55.56 34.48 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.41 173.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.93 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.862 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.5 mmtt -54.14 -53.58 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 35.1 tpp -65.01 -18.98 65.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.97 -30.72 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 1.5 mm-40 -68.86 -23.58 64.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -93.08 -25.53 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -72.57 -19.39 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.56 11.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.04 6.86 20.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 47.95 61.89 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.3 mt -104.85 90.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -37.02 129.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 67' ' ' VAL . 3.4 t -100.71 118.41 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 19.8 m -114.92 171.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t -88.03 -176.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.66 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -48.55 -30.12 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.36 -46.14 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HA ' HG12 ' A' ' 83' ' ' VAL . 31.3 mt -59.86 -38.61 82.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.04 -38.36 88.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.47 ' CA ' ' HB2' ' A' ' 86' ' ' SER . 0.3 OUTLIER -76.91 -56.24 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -49.53 -25.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.592 ' HA ' HD11 ' A' ' 36' ' ' LEU . 8.9 t -87.98 -31.77 19.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -148.15 75.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB2' ' CA ' ' A' ' 82' ' ' ASP . 16.7 t -151.29 146.01 25.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.638 ' O ' HG23 ' A' ' 87' ' ' THR . 6.5 t -105.48 42.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -126.27 155.8 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -69.68 150.88 46.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -49.41 -54.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -50.95 -51.55 51.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.44 -44.94 92.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 88' ' ' LYS . 54.6 mt -53.85 -48.68 69.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 49' ' ' LEU . 21.7 m-30 -53.96 -54.28 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -28.47 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.94 -6.89 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 93.9 m-70 -151.35 37.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.649 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.43 121.52 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' SER . 44.4 mt -96.23 -22.49 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -104.09 170.08 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.53 -3.67 23.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.2 p90 -107.92 -163.69 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.8 mtmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.766 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -17.83 19.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.3 mm? -107.35 1.66 23.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -47.82 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.9 t-20 88.23 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -154.88 131.76 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.3 mttp -92.88 128.41 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.812 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.2 mp -117.51 137.71 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -113.54 150.55 32.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.1 p -128.39 151.6 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.3 mt -140.94 175.29 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.39 -150.54 3.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -118.15 131.08 56.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.15 166.62 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -51.81 -46.48 64.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -91.41 178.13 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -92.68 153.49 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -44.28 -59.93 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -47.01 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.03 -42.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.53 HG12 ' CD1' ' A' ' 33' ' ' ILE . 77.7 t -73.99 -55.01 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -45.17 -31.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.72 -47.01 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.825 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.2 mmm -60.31 -47.15 87.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' A' ' 40' ' ' LEU . 74.4 mt -59.84 -35.22 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.68 -40.48 33.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -28.88 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.825 HD11 ' HE3' ' A' ' 32' ' ' MET . 44.7 mt -83.8 7.52 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -16.94 56.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -70.19 -164.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -163.27 123.32 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.47 136.66 42.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -127.78 169.15 14.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -100.96 -41.45 2.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 85.8 m -80.54 145.73 31.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.425 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -88.09 -48.28 7.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 43' ' ' THR . 2.3 p-10 -58.36 -17.11 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -115.22 43.43 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.02 162.78 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -105.88 -26.35 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 50' ' ' CYS . 13.4 tp -152.83 160.55 43.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' LEU . 13.0 t -127.29 139.39 52.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 16' ' ' ILE . 57.0 mt -126.13 95.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.815 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -130.31 -172.2 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 20.1 p -111.4 157.76 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.96 -57.81 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.7 mm-40 -41.81 -68.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 74' ' ' VAL . 95.5 t -46.65 -32.89 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.93 -37.61 70.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.51 -48.47 81.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.546 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 63.14 38.07 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 63' ' ' LYS . 5.7 p30 -70.25 -169.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -61.53 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.822 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.48 -54.26 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.562 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 46.2 tpp -62.6 -38.01 88.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -54.67 -47.51 73.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -51.28 -38.9 55.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.823 HG13 ' HB ' ' A' ' 72' ' ' ILE . 30.1 t -68.16 -39.55 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -65.66 -41.27 92.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.15 -41.07 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.47 9.16 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.1 t30 40.01 54.81 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.823 ' HB ' HG13 ' A' ' 67' ' ' VAL . 77.8 mt -98.84 119.54 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -54.41 135.36 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 57' ' ' VAL . 4.0 t -109.58 114.92 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 94' ' ' PHE . 32.1 m -112.05 168.87 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -90.68 170.85 9.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -17.43 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.51 -28.43 69.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 9.1 t80 -59.66 -46.48 88.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.4 mt -54.92 -50.48 68.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.3 -27.57 64.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.634 ' CG ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.85 -56.9 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.766 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.4 -28.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -86.66 -30.22 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -128.91 62.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -164.88 151.27 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.3 p -123.38 32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -99.14 174.3 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -78.92 144.96 34.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.9 mm? -51.51 -58.97 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -40.42 -56.16 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.02 -53.81 52.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.634 HD22 ' CG ' ' A' ' 82' ' ' ASP . 22.0 mt -47.42 -58.81 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 22.1 m-85 -48.04 -47.45 33.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.825 ' C ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.68 -59.25 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.94 -18.38 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 78.7 m-70 -129.43 41.78 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -94.69 123.18 46.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 52' ' ' SER . 16.9 mt -96.78 -17.34 20.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 p -109.85 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -5.56 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.1 p90 -109.16 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.1 mttt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.577 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.03 -15.2 20.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 12' ' ' SER . 38.0 mt -109.59 -16.13 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -31.89 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.2 t30 87.27 54.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 49.8 mtp -159.2 127.03 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -92.08 110.82 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.4 mp -95.18 136.76 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 18' ' ' THR . 1.6 tm? -114.37 161.79 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.2 p -135.96 144.42 45.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -136.58 124.5 22.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.57 -164.58 37.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.3 133.95 45.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.05 165.96 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -49.5 -46.18 47.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -89.93 179.06 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -92.69 152.49 19.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -43.38 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.18 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -42.03 -35.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.11 -51.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -51.4 -27.63 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.39 -51.2 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.591 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -53.56 -56.5 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.951 HD12 HD12 ' A' ' 40' ' ' LEU . 78.6 mt -49.89 -34.81 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -78.79 -44.38 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -61.85 -29.66 70.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 ' HE3' ' A' ' 32' ' ' MET . 37.2 mt -83.31 7.98 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.95 -10.89 59.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.45 -169.84 22.78 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -150.67 134.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.951 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -86.11 139.45 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.834 HG23 HD23 ' A' ' 17' ' ' LEU . 3.9 t -124.86 167.14 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 -43.25 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -80.45 158.84 25.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -95.73 -44.3 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.94 -33.76 73.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -96.1 38.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.19 158.78 37.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -101.18 -28.27 12.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD22 ' HE1' ' A' ' 94' ' ' PHE . 8.5 tp -149.14 156.81 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 35.5 t -121.8 143.44 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 16' ' ' ILE . 49.6 mt -128.03 94.94 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.81 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -129.82 -172.1 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 p -109.0 161.86 14.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.15 -54.44 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -49.43 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -53.1 -68.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' HG11 ' A' ' 74' ' ' VAL . 52.1 t -46.49 -25.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-10 -77.79 -41.02 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -57.51 -37.73 73.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.567 ' HE1' ' HD2' ' A' ' 68' ' ' LYS . 2.1 mmt 52.34 53.58 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.15 175.41 8.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -47.69 -41.36 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.864 ' CB ' HD21 ' A' ' 19' ' ' LEU . 13.2 mmtt -58.19 -52.9 63.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.2 tpp -65.03 -24.56 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 -49.9 69.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 5.1 mm-40 -51.97 -34.57 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.752 HG13 ' HB ' ' A' ' 72' ' ' ILE . 36.1 t -75.77 -40.25 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 9.4 tttt -65.63 -42.55 91.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.02 -42.78 99.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.21 8.39 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 t30 42.1 54.9 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.752 ' HB ' HG13 ' A' ' 67' ' ' VAL . 85.0 mt -99.82 115.48 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -54.37 121.52 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 67' ' ' VAL . 4.0 t -93.74 114.37 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 18.1 m -113.71 172.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -173.31 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -23.3 38.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 67.1 m-20 -52.6 -40.89 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 t80 -43.26 -42.29 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.56 ' HA ' HG12 ' A' ' 83' ' ' VAL . 63.2 mt -64.26 -40.1 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.5 tp-100 -68.09 -34.8 77.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -79.47 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 80' ' ' LEU . 4.4 p -45.97 -33.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -81.09 -37.99 28.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.14 72.66 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.2 t -145.28 134.03 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 p -86.29 13.64 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.36 -165.78 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 17.0 m -116.11 152.79 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 10' ' ' PRO . 4.2 mm? -38.09 -56.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.04 -47.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 96' ' ' ALA . 27.2 mm-40 -59.23 -66.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -41.22 -60.01 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 49' ' ' LEU . 9.6 m-85 -41.32 -30.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 92' ' ' GLU . 8.6 mt -98.17 -35.82 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.94 2.02 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 99.5 m-70 -145.14 22.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.636 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -74.89 123.21 30.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 52' ' ' SER . 14.2 mt -102.0 -19.54 15.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -110.79 177.05 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -16.62 14.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 9.7 p90 -96.07 -166.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.535 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -20.85 16.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -111.48 2.56 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -40.14 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 12' ' ' SER . 17.7 t30 88.45 51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.711 ' O ' HD12 ' A' ' 16' ' ' ILE . 2.6 mmm -143.89 123.35 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -82.97 107.09 15.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.863 HD13 HG23 ' A' ' 33' ' ' ILE . 3.9 mp -95.29 132.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.711 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -104.77 159.41 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.699 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.9 p -139.43 153.95 47.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.6 mt -144.98 173.11 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 41.18 -147.54 0.34 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG21 ' A' ' 53' ' ' THR . 22.8 tptm -116.93 137.88 51.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.74 166.77 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -48.52 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -86.6 174.42 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' LYS . 88.9 m-20 -87.43 143.73 27.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.0 tttt -40.05 -51.59 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.3 -64.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.64 -43.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.433 HG12 ' CD1' ' A' ' 33' ' ' ILE . 71.4 t -72.58 -54.73 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -43.75 -43.18 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.97 73.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.97 -47.4 85.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.88 ' CD1' HD12 ' A' ' 40' ' ' LEU . 77.4 mt -60.3 -34.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.42 -43.32 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -29.0 70.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD12 HD22 ' A' ' 80' ' ' LEU . 48.2 mt -82.67 5.57 20.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.06 -14.35 60.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.18 -165.84 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -157.34 133.88 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.88 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.41 135.41 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.711 HG23 HD23 ' A' ' 17' ' ' LEU . 8.5 t -127.53 169.7 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.06 -37.78 4.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 44' ' ' ALA . 92.9 m -78.92 167.54 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -106.77 -50.03 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.12 -17.16 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -108.18 38.59 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -140.88 151.65 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -94.95 -31.95 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.5 tp -127.7 163.35 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 67' ' ' VAL . 42.3 t -138.94 110.59 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.249 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.3 mt -98.79 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.576 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -128.45 -172.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 21' ' ' LYS . 55.5 p -110.15 154.89 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' LYS . 1.2 tppt? -48.33 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -39.17 -66.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.2 OUTLIER -39.37 -60.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 53' ' ' THR . 12.0 t -49.96 -39.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.8 mt-10 -74.26 -23.29 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -82.68 -39.68 21.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.621 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 58.54 58.78 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -84.21 164.16 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -48.59 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -51.73 -59.28 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.621 ' HG3' ' HE2' ' A' ' 60' ' ' MET . 54.4 tpp -58.43 -37.03 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -46.41 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.6 -41.72 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.756 HG13 ' HB ' ' A' ' 72' ' ' ILE . 39.5 t -66.99 -37.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 40.9 tttm -69.06 -34.65 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.5 -45.74 82.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.22 8.48 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 42.99 58.77 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.756 ' HB ' HG13 ' A' ' 67' ' ' VAL . 57.1 mt -102.68 111.68 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD2' ' A' ' 94' ' ' PHE . 8.8 ptp85 -50.6 126.05 14.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.47 HG22 HG11 ' A' ' 67' ' ' VAL . 15.0 t -96.2 127.35 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -124.58 171.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.36 -177.71 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -33.62 64.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -35.82 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -45.13 -50.84 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.677 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -56.39 -45.51 80.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -57.1 -22.61 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.617 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -94.76 -53.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.677 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -56.59 -24.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.535 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.1 t -91.12 -19.17 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.82 64.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 41.7 t -153.35 141.49 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -110.57 45.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -129.11 -163.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -96.29 161.45 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.749 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.1 mm? -60.57 -47.37 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.53 -60.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.19 -40.42 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 92' ' ' GLU . 80.6 mt -67.19 -42.71 83.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.749 ' CE1' HD12 ' A' ' 90' ' ' LEU . 18.4 m-30 -61.25 -53.17 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -29.02 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' GLU . . . -78.07 0.07 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 96' ' ' ALA . 96.5 m-70 -158.05 35.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.1 122.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' SER . 27.7 mt -96.05 -27.24 15.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 84.6 p -103.52 168.52 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.24 -12.69 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 9.1 p90 -99.93 -167.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.443 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.533 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.9 mtmt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.688 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 36' ' ' LEU . 23.8 mt -66.76 -13.7 61.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.595 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -42.58 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 91.0 44.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -151.77 121.89 7.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.639 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -83.89 126.03 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.9 mp -107.98 136.38 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -112.32 161.15 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.725 ' N ' HD13 ' A' ' 17' ' ' LEU . 51.9 p -137.04 145.65 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -131.42 161.97 31.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.712 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 56.91 -141.17 43.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.5 122.69 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -93.56 171.0 9.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -45.04 95.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -84.48 174.23 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -90.05 146.66 24.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.32 -48.91 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -55.34 -65.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.14 -37.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.49 -53.97 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -47.03 -33.08 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.95 -49.19 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -52.14 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.697 HD12 HD12 ' A' ' 40' ' ' LEU . 50.0 mt -59.76 -34.56 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.83 -27.9 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.808 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.22 -50.36 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.2 mm? -56.14 -21.59 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 -6.05 18.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.05 -162.2 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 128.53 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.697 HD12 HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -74.38 139.0 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 17' ' ' LEU . 4.8 t -125.6 169.39 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.41 -43.82 2.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.589 HG21 ' CD ' ' A' ' 46' ' ' LYS . 6.2 m -78.69 159.53 27.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -96.8 -40.61 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -64.14 -32.89 74.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CD ' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -95.58 36.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.97 161.17 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -103.69 -27.36 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.5 tp -148.36 161.33 41.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.657 ' H ' HD12 ' A' ' 49' ' ' LEU . 9.5 t -126.63 142.24 51.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -126.4 94.99 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.753 ' O ' HD12 ' A' ' 99' ' ' LEU . 7.6 t -127.33 -172.13 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 67.1 p -115.22 161.24 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -48.16 -54.07 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.43 -66.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -39.18 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.11 -56.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.3 -24.51 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.3 ptpt -78.5 -39.69 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.1 mmt 57.5 53.15 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -86.19 174.81 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -47.77 -56.01 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.32 -43.41 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.918 ' HE1' HD13 ' A' ' 19' ' ' LEU . 40.3 tpp -75.67 -23.23 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -68.89 -42.8 76.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 9.8 mm-40 -59.61 -29.36 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.771 HG13 ' HB ' ' A' ' 72' ' ' ILE . 60.8 t -82.81 -34.57 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -71.01 -46.17 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 18.5 pt-20 -56.67 -42.87 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -86.65 7.16 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 t30 44.67 53.35 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.771 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.6 mt -95.6 118.16 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.487 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.22 127.81 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 67' ' ' VAL . 9.4 t -102.75 115.04 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 49' ' ' LEU . 21.4 m -114.8 173.54 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -94.1 176.93 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -8.88 57.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -76.91 -9.73 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -74.71 -34.92 62.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' HG12 ' A' ' 83' ' ' VAL . 18.1 mt -67.05 -53.18 33.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.631 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 7.0 pt20 -60.37 -17.87 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -92.75 -43.7 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -63.75 -15.57 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.65 -6.1 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -138.38 36.54 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.0 t -151.73 140.31 20.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -112.45 30.6 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -93.55 -177.71 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -82.19 131.97 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.858 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -40.29 -51.84 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.81 -45.52 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.7 mm-40 -65.82 -41.69 91.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 93' ' ' LEU . 17.1 mt -57.8 -50.42 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.858 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 22.2 m-85 -53.25 -54.21 39.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.01 -28.03 69.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.46 -5.03 45.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -153.25 35.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.21 121.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 52' ' ' SER . 54.5 mt -94.3 -20.19 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.7 p -102.95 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.97 6.68 15.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -123.74 -166.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.3 mtmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -24.55 12.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.2 mm? -106.59 8.36 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -48.66 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' SER . 3.1 t-20 84.57 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.407 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -149.66 123.58 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.7 mtmt -86.67 126.79 34.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 33' ' ' ILE . 2.8 mp -105.98 144.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 41' ' ' THR . 1.4 tm? -117.18 158.18 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 52.5 p -136.99 142.15 42.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -137.68 126.18 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.26 -142.85 16.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -127.62 147.66 50.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.65 HD13 ' HG3' ' A' ' 77' ' ' GLU . 10.0 mt -125.08 -179.44 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 t -66.99 -41.52 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -90.12 178.52 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 79.5 m-20 -96.7 142.82 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ASN . 6.1 ttpt -39.98 -38.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.29 -39.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.902 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.4 t -76.6 -54.44 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -46.23 -24.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -84.7 -64.32 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.853 ' SD ' HD13 ' A' ' 80' ' ' LEU . 7.8 ptm -45.84 -42.87 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.902 ' CD1' HG12 ' A' ' 29' ' ' VAL . 85.2 mt -61.87 -33.91 60.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.1 mt-10 -79.67 -34.41 40.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.99 -33.1 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 11' ' ' LEU . 73.1 mt -69.53 -15.0 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' CA ' ' HD2' ' A' ' 9' ' ' LYS . . . 110.75 -9.04 29.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.68 -158.16 33.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -163.27 140.35 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.15 135.65 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -125.03 169.41 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.42 -48.08 1.74 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -81.29 149.12 29.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 0.774 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -85.88 -36.8 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -21.04 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.66 42.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.85 159.38 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 m -100.27 -28.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' H ' ' A' ' 50' ' ' CYS . 15.8 tp -149.33 162.28 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.621 ' H ' HD12 ' A' ' 49' ' ' LEU . 43.4 t -126.15 145.1 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.5 mt -130.23 93.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.662 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -129.07 -171.57 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 22.1 p -111.09 175.16 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -54.48 -55.52 28.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.618 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -51.83 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG22 HG11 ' A' ' 74' ' ' VAL . 98.8 t -47.29 -32.28 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.21 -35.96 74.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.56 -47.91 76.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 63.67 35.49 11.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.7 t30 -67.39 -166.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -64.27 -57.63 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.731 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.51 -27.11 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.618 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 47.1 tpp -95.88 -20.32 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 3.1 pt-20 -72.73 -36.85 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.63 -38.51 91.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.868 HG13 ' HB ' ' A' ' 72' ' ' ILE . 57.7 t -67.16 -35.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -70.28 -30.06 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -73.56 -41.69 62.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.63 13.86 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 7.5 t30 39.55 49.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.868 ' HB ' HG13 ' A' ' 67' ' ' VAL . 81.4 mt -92.48 106.81 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 49' ' ' LEU . 8.2 ptp85 -47.69 130.13 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.542 HG11 HG22 ' A' ' 57' ' ' VAL . 11.0 t -102.01 116.21 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 97' ' ' HIS . 20.9 m -112.21 173.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -97.02 177.85 5.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.65 ' HG3' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -71.92 -11.17 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.33 -14.5 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 14.9 t80 -72.6 -44.09 62.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.853 HD13 ' SD ' ' A' ' 32' ' ' MET . 22.2 mt -63.18 -52.21 63.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -53.99 -19.62 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -96.83 -57.07 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG1' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.83 -35.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.494 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.4 p -79.84 -29.79 40.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -136.11 70.53 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 13.1 t -169.31 143.16 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 87' ' ' THR . 5.4 t -108.05 39.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.74 163.29 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.7 m -77.13 145.8 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.699 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.7 mm? -46.34 -58.72 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -40.71 -62.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.81 -52.08 63.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.65 -52.52 17.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -55.29 -52.77 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 98' ' ' ILE . 8.5 mp -59.32 -45.7 90.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -13.02 46.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.544 ' O ' HG12 ' A' ' 75' ' ' VAL . 68.7 m-70 -140.84 42.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -97.4 121.42 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' SER . 45.6 mt -95.36 -27.42 15.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.2 p -98.11 169.54 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.53 -8.92 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 13.9 p90 -104.23 -163.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.8 mtmm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -33.4 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD21 HG11 ' A' ' 83' ' ' VAL . 1.3 mm? -96.04 0.94 52.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -45.75 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.1 t-20 83.07 53.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 89.6 mtp -153.93 124.71 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 42.5 mtmt -84.96 122.81 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.783 HD13 HG23 ' A' ' 33' ' ' ILE . 2.5 mp -106.28 135.18 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.901 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -108.55 162.17 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.8 p -138.62 148.04 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.768 HD13 ' HE1' ' A' ' 64' ' ' MET . 0.3 OUTLIER -140.52 151.43 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.94 -157.29 51.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 119.62 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.42 173.17 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -59.81 -45.48 92.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -84.53 -178.86 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 1.4 p30 -106.37 145.36 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -39.91 -35.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -61.73 -62.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 4.1 mm-40 -46.3 -54.49 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.927 HG12 ' CD1' ' A' ' 33' ' ' ILE . 83.9 t -63.05 -41.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 12.9 tttt -58.26 -32.13 68.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.28 -44.83 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.661 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 mmm -60.74 -36.2 78.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.927 ' CD1' HG12 ' A' ' 29' ' ' VAL . 29.8 mt -74.39 -25.34 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.86 -55.73 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -46.59 63.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 32' ' ' MET . 23.7 mt -54.51 -41.79 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.18 -10.82 3.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -84.93 -160.05 31.83 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -160.31 129.0 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.762 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.59 137.85 42.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.901 HG23 HD23 ' A' ' 17' ' ' LEU . 4.2 t -127.02 169.32 13.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.2 -44.08 2.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.585 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.7 m -76.03 165.5 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -99.9 -47.15 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.92 -35.55 75.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -91.93 37.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.52 155.95 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -103.95 -31.37 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.6 tp -130.61 162.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.3 t -137.81 123.69 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.77 95.12 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.8 t -126.84 -171.63 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . 44.3 p -115.6 158.39 22.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -56.31 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.4 mttp -41.36 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CD ' HD22 ' A' ' 19' ' ' LEU . 1.7 mm-40 -36.72 -65.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' THR . 21.6 t -45.79 -54.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.09 -26.5 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmtt -80.24 -29.07 38.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 52.26 33.24 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.69 173.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 11.8 mttt -53.84 -51.53 63.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -48.14 -28.45 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.768 ' HE1' HD13 ' A' ' 19' ' ' LEU . 38.1 tpp -95.41 -19.93 19.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 2.7 pt-20 -78.0 -33.7 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -91.08 -26.69 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -71.43 -20.5 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 2.0 mm-40 -86.85 -37.81 17.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.71 11.12 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t30 44.05 60.09 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' A' ' 67' ' ' VAL . 57.8 mt -107.82 108.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -52.59 132.49 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.5 t -103.37 114.83 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 16.7 m -112.27 172.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HD11 ' A' ' 99' ' ' LEU . 13.6 p -84.29 -173.92 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -46.63 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -41.36 -33.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.16 -35.45 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 29' ' ' VAL . 41.1 mt -67.08 -56.83 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -54.2 -19.53 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -93.34 -45.67 7.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.09 -16.92 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.544 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.9 t -106.31 2.25 26.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.77 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 4.9 t -169.87 126.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 p -89.12 42.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.66 143.44 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 m -63.55 135.47 56.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.0 mm? -40.22 -62.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.93 -43.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.8 mm-40 -71.05 -54.1 12.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -47.85 -47.32 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.8 m-30 -55.06 -54.48 42.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -28.1 68.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.66 -7.21 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 90.8 m-70 -150.57 37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.64 121.52 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 52' ' ' SER . 95.9 mt -95.88 -27.3 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.538 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 76.7 p -96.83 173.66 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 0.11 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 30.0 p90 -113.13 -163.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.019 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.4 mttt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.595 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -37.02 2.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 83' ' ' VAL . 2.1 mm? -84.34 -22.63 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.524 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -31.08 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' SER . 5.5 t-20 83.23 54.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 50.6 mtp -158.4 128.3 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.26 19.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.723 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.1 mp -95.55 139.96 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -122.1 151.56 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.872 HG21 HG11 ' A' ' 29' ' ' VAL . 41.4 p -124.98 141.26 52.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' C ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -126.05 165.68 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.76 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 54.14 -158.56 5.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.35 124.56 51.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.99 172.17 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -43.32 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.39 176.6 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 2.3 p30 -105.77 152.83 22.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -40.63 -47.32 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -52.97 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 3.6 mm-40 -45.0 -55.82 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 18' ' ' THR . 90.4 t -59.97 -39.89 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LYS . 11.1 tttt -62.63 -35.6 80.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -57.71 -67.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.677 HG23 HD13 ' A' ' 16' ' ' ILE . 20.1 mt -45.71 -30.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.15 -39.89 39.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.832 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -61.24 -49.51 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.832 HD22 ' HD2' ' A' ' 35' ' ' LYS . 2.2 mm? -55.14 -39.79 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.88 -8.23 4.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.81 -162.14 33.2 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -154.98 131.57 10.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -75.03 140.55 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -123.96 169.8 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.83 -46.59 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.419 1.074 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -77.82 142.46 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -82.87 -38.65 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -63.12 -18.59 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.26 44.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.35 160.28 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.3 m -111.49 -29.37 7.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.5 tp -130.91 160.97 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 67' ' ' VAL . 37.1 t -143.11 118.12 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 75' ' ' VAL . 62.6 mt -103.49 94.76 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.793 ' O ' HD12 ' A' ' 99' ' ' LEU . 8.3 t -125.5 -172.16 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -112.97 156.69 22.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -55.17 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' GLU . 14.1 mttt -45.32 -65.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -37.4 -66.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.36 -41.88 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.1 mt-10 -68.03 -27.79 66.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.2 mmmm -71.11 -34.88 71.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.485 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.3 mmt 57.82 20.32 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 64' ' ' MET . 47.6 p-10 -58.41 167.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -43.26 -56.39 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.761 ' C ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -43.15 -40.98 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.499 ' HE2' HD13 ' A' ' 19' ' ' LEU . 37.5 tpp -82.54 -26.75 32.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -67.5 -37.29 82.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 17.6 mm-40 -64.31 -30.36 71.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' A' ' 72' ' ' ILE . 84.0 t -82.79 -30.93 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -70.21 -50.97 34.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 6.4 pt-20 -53.08 -45.97 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -82.43 7.24 14.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 103' ' ' GLY . 4.0 t30 39.08 69.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' A' ' 67' ' ' VAL . 50.5 mt -112.83 115.03 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -51.63 125.67 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 HG22 HG11 ' A' ' 67' ' ' VAL . 16.5 t -97.71 131.77 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -125.77 177.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t -97.44 179.54 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -20.08 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -21.39 66.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.413 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 20.8 t80 -60.2 -46.91 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.65 -40.81 96.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.5 tp60 -65.86 -18.42 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.41 -51.43 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -51.03 -34.32 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -86.35 -23.77 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -134.15 64.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -179.56 116.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 87' ' ' THR . 10.7 t -89.89 43.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -103.04 157.85 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.2 m -64.39 132.73 50.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.3 mm? -39.85 -58.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -39.59 -60.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.17 -48.27 71.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' LEU . 22.5 mt -52.32 -49.89 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.0 m-30 -56.13 -53.49 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 98' ' ' ILE . 9.2 mp -59.5 -44.57 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.21 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 86.1 m-70 -142.14 43.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -96.81 122.0 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 52' ' ' SER . 35.1 mt -97.57 -18.29 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.8 p -109.37 171.76 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.93 -11.03 16.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -100.26 -166.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.428 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.987 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -74.94 -16.85 20.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.575 HD21 ' HZ ' ' A' ' 79' ' ' PHE . 24.4 mt -107.37 -15.66 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -33.73 105.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 86.71 54.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 56.6 mtp -157.93 144.52 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -104.58 109.27 21.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.891 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -95.24 136.09 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -122.69 148.32 45.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -121.92 149.08 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.469 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -140.18 135.15 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -148.8 29.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 128.39 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.53 165.9 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.23 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -89.34 174.11 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.09 149.56 23.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -51.49 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -54.01 -62.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -40.99 -40.07 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -76.1 -54.14 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -47.38 -32.65 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.1 -54.14 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.2 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.959 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.6 mt -59.97 -34.97 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -45.87 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -31.33 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 80' ' ' LEU . 37.1 mt -81.63 5.13 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.38 -9.31 64.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.99 -177.08 39.06 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.98 133.94 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.959 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -86.78 137.4 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 17' ' ' LEU . 5.3 t -128.48 167.64 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -96.83 -41.47 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 17' ' ' LEU . 95.0 m -78.37 148.17 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -91.96 -41.93 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.96 -12.69 39.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -117.86 41.37 2.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.85 159.33 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -101.68 -30.2 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 75' ' ' VAL . 12.5 tp -145.98 159.61 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -130.06 147.06 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 47.5 mt -127.64 98.75 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.787 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.4 t -133.29 -172.67 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -103.85 -176.51 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -34.36 49.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' LYS . 14.4 tttt -59.2 -57.26 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -49.37 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -48.66 -35.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.17 -26.16 55.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -78.53 -38.98 39.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 59.47 56.18 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -81.53 168.59 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -49.51 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.899 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.4 mttm -52.92 -48.99 66.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 52.7 tpp -67.11 -30.18 70.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.69 84.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.9 mm-40 -53.84 -37.83 64.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.745 HG13 ' HB ' ' A' ' 72' ' ' ILE . 35.2 t -69.61 -39.39 78.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE3' ' A' ' 60' ' ' MET . 38.3 tttm -65.83 -42.03 91.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.73 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.37 8.34 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 25.9 t30 40.4 58.0 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.745 ' HB ' HG13 ' A' ' 67' ' ' VAL . 69.8 mt -100.9 113.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -51.54 121.02 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.511 HG22 HG11 ' A' ' 67' ' ' VAL . 3.5 t -94.62 114.46 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HA ' ' A' ' 94' ' ' PHE . 27.6 m -115.88 170.87 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 178.1 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 4.3 tt0 -85.97 -7.02 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.33 -29.84 64.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -49.38 -32.05 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 36' ' ' LEU . 78.7 mt -67.53 -47.96 68.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.3 -37.47 83.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.77 ' HB3' HD11 ' A' ' 93' ' ' LEU . 1.7 m-20 -78.82 -66.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 79' ' ' PHE . 7.2 p -40.26 -38.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 36' ' ' LEU . 10.2 t -75.48 -41.92 54.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -133.07 71.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' ASP . 46.9 t -149.77 144.43 26.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.4 p -91.11 30.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.43 143.42 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.4 m -69.05 159.47 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.987 HD11 ' CB ' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -49.87 -48.74 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -46.98 -33.05 4.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.56 -64.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 82' ' ' ASP . 3.8 mm? -44.33 -55.57 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.785 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.3 m-30 -43.25 -29.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.56 -38.16 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.67 2.19 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.578 ' HD2' HD12 ' A' ' 93' ' ' LEU . 78.5 m-70 -148.55 29.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -78.66 124.0 36.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 52' ' ' SER . 17.6 mt -103.31 -13.76 16.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -114.77 172.38 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.23 3.25 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 71' ' ' ASN . 10.5 p90 -121.73 -168.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.465 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 11.6 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.63 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.96 -27.29 10.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.29 0.32 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -46.69 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' SER . 10.1 t-20 85.27 54.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -158.71 132.83 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.724 ' C ' HD12 ' A' ' 16' ' ' ILE . 16.3 mtmt -90.6 129.84 36.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.0 mp -115.77 142.12 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 50' ' ' CYS . 0.9 OUTLIER -118.74 151.44 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -123.98 142.31 51.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.773 HD21 ' CB ' ' A' ' 63' ' ' LYS . 1.2 mt -134.89 134.16 40.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.56 -175.04 53.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 129.78 38.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.71 170.81 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -47.17 65.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -91.93 177.69 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.2 m-20 -94.71 150.6 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 4.7 tptt -39.84 -64.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.19 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.95 -39.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 33' ' ' ILE . 86.3 t -77.87 -52.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -48.0 -31.04 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -52.26 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.582 ' HE3' HD11 ' A' ' 36' ' ' LEU . 2.1 mmm -54.0 -50.08 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.723 ' CG2' HD13 ' A' ' 16' ' ' ILE . 40.7 mt -59.41 -26.44 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.29 -56.93 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -49.07 51.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' HE3' ' A' ' 32' ' ' MET . 15.7 mt -52.11 -43.02 63.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.54 -11.53 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.0 -162.09 31.83 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -158.13 132.71 8.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -76.9 137.76 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HD12 ' A' ' 17' ' ' LEU . 7.0 t -127.61 163.99 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -99.3 -37.62 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 17' ' ' LEU . 85.2 m -85.49 145.01 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.76 -53.17 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -21.79 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.83 46.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.72 160.11 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -109.55 -30.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 49' ' ' LEU . 7.0 tp -132.75 157.78 44.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.8 t -136.91 115.6 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 mt -102.69 94.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.1 t -124.72 -172.12 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.3 p -116.09 153.93 30.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -44.34 -57.33 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -40.56 -66.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -40.22 -61.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' THR . 11.5 t -49.44 -37.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.5 mm-40 -71.83 -27.39 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -78.4 -36.11 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 57.36 54.6 6.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.77 168.87 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.4 -43.16 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.773 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.9 mmtp -56.74 -51.85 67.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 47.8 tpp -68.24 -15.79 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt-10 -80.08 -35.29 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.7 mm-40 -65.54 -23.19 66.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -94.44 -29.19 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -66.18 -23.2 66.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 3.4 mt-10 -84.49 -44.17 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.29 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 0.8 OUTLIER 48.33 67.58 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ARG . 18.5 mt -100.96 98.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -34.39 109.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.516 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 12.6 t -87.44 115.08 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 25.8 m -118.55 173.01 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.76 -177.14 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -31.62 40.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.69 -22.66 9.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 8.3 t80 -59.21 -46.33 88.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HA ' HG12 ' A' ' 83' ' ' VAL . 33.7 mt -57.54 -44.43 85.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.84 -31.74 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.654 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.1 -55.55 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.628 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -54.45 -22.96 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.461 ' CB ' HD21 ' A' ' 36' ' ' LEU . 22.6 t -93.85 -26.45 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.44 70.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 7.3 t -163.97 126.25 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -89.58 39.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.57 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 m -64.01 142.42 58.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.815 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -50.74 -48.84 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -52.36 -40.14 61.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.16 -61.24 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 82' ' ' ASP . 93.6 mt -43.01 -46.55 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.815 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 12.0 m-30 -54.39 -54.9 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 ' OE1' ' A' ' 91' ' ' GLN . 1.2 mt -67.75 -28.39 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.56 1.11 47.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 95.8 m-70 -151.91 36.23 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.667 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.572 HD12 ' HD3' ' A' ' 73' ' ' ARG . 1.1 tp -89.92 127.65 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 52' ' ' SER . 22.1 mt -104.34 -17.92 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 98' ' ' ILE . 20.0 p -114.23 170.79 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -28.61 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 29.1 p90 -81.8 -168.91 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 10.5 mtmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -18.0 18.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -110.42 -0.9 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -44.41 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.3 t-20 88.81 52.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 62.1 mtp -155.23 124.71 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 16' ' ' ILE . 18.6 mtmt -85.83 117.37 24.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.6 mp -100.52 138.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -112.56 160.55 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.679 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.7 p -141.42 152.16 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.848 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.6 mt -136.53 175.11 9.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.19 -108.54 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 134.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -97.79 -166.28 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -19.88 60.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -102.8 -178.21 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.36 152.32 20.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -45.4 -44.39 11.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.18 -64.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -40.07 -36.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 33' ' ' ILE . 78.8 t -80.16 -54.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HB2' HD13 ' A' ' 40' ' ' LEU . 18.6 tttm -47.73 -34.69 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.64 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 84' ' ' SER . 0.4 OUTLIER -58.57 -53.51 57.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 29' ' ' VAL . 10.1 mt -53.48 -31.85 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.26 -44.82 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.68 69.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CB ' HD23 ' A' ' 11' ' ' LEU . 37.6 mt -82.01 4.67 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -14.61 62.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -76.9 -161.64 13.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -162.77 127.53 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 30' ' ' LYS . 6.6 tt -74.36 149.21 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.905 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -138.72 166.73 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.08 3.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.4 m -77.96 166.0 23.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -101.33 -49.07 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -57.32 -34.34 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.2 OUTLIER -91.73 37.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -133.71 163.65 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -109.11 -24.38 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.0 tp -147.85 160.85 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.647 ' H ' HD12 ' A' ' 49' ' ' LEU . 20.8 t -126.07 146.08 50.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.5 HD12 HG21 ' A' ' 16' ' ' ILE . 65.9 mt -133.55 94.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.08 -171.45 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.2 p -113.44 169.44 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -54.93 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -45.91 -51.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -53.5 -66.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.442 HG22 HG11 ' A' ' 74' ' ' VAL . 98.1 t -46.22 -27.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.68 -39.58 57.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -59.43 -50.0 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.7 mmt 62.76 37.73 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.73 -170.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.76 98.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.848 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -56.41 -61.26 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 40.0 tpp -59.52 -17.86 35.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 mm-40 -79.94 -30.47 39.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -69.14 -23.46 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -26.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 34.7 tttm -72.06 -20.55 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mm-40 -84.63 -43.42 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.95 -2.41 57.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.85 63.13 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 24.2 mt -103.54 104.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -41.71 133.74 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 4.3 t -107.29 117.22 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 98' ' ' ILE . 33.0 m -118.88 171.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.73 172.03 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 1.6 tm-20 -66.48 -26.81 67.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.39 -31.45 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -45.05 -51.54 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 83' ' ' VAL . 16.4 mt -58.49 -41.86 86.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -62.36 -19.89 63.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.68 -53.26 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -54.23 -30.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 5.2 t -86.66 -25.13 25.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.3 64.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.1 t -177.2 120.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 87' ' ' THR . 4.0 t -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 158.53 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -70.06 133.26 47.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.3 mm? -40.38 -59.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -39.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.8 mm-40 -75.42 -49.83 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 30.4 mt -52.2 -50.41 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.634 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.8 m-85 -52.98 -54.65 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -27.47 68.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.95 -8.92 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -150.07 37.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -87.47 121.84 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.4 mt -95.39 -27.06 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.6 p -99.95 167.0 10.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.49 -17.43 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 12.5 p90 -91.95 -164.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.535 ' HG2' ' CA ' ' A' ' 37' ' ' GLY . 9.8 mtpt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 -30.05 7.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.638 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -101.44 18.08 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.529 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.65 107.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 12' ' ' SER . 16.6 t30 83.58 54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.409 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -163.81 127.74 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.673 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.2 mttp -88.76 128.19 35.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.782 HD13 HG23 ' A' ' 33' ' ' ILE . 1.8 mp -108.46 139.37 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.849 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -107.12 160.87 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.673 ' N ' HD13 ' A' ' 17' ' ' LEU . 82.2 p -142.45 145.25 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.31 175.42 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.38 -110.67 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.71 135.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.765 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -95.96 -166.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -22.44 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -97.24 177.37 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -93.62 148.81 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -50.69 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -64.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.1 -40.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -76.65 -55.06 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -46.7 -34.45 5.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -67.98 -53.9 22.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.504 ' O ' HD22 ' A' ' 36' ' ' LEU . 17.0 mmm -52.18 -61.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.782 HG23 HD13 ' A' ' 16' ' ' ILE . 79.1 mt -47.18 -37.33 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.83 -29.9 56.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -76.87 -42.56 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.638 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.9 mm? -60.72 -16.04 35.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' CA ' ' HG2' ' A' ' 9' ' ' LYS . . . 112.37 -8.34 26.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.14 -157.46 29.56 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.6 mttt -161.99 132.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.31 132.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.849 HG23 HD23 ' A' ' 17' ' ' LEU . 5.4 t -123.18 167.34 13.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 -44.7 2.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.0 m -77.73 148.75 34.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . . . -90.42 -38.72 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 1.3 m-20 -66.22 -18.1 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -111.96 39.55 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.3 159.03 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -105.8 -28.42 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.9 tp -132.02 160.13 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.0 t -134.99 119.6 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mt -109.37 95.78 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -130.17 -172.0 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.5 p -111.06 156.49 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -56.23 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -44.43 -51.11 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -52.51 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 57.1 t -46.23 -27.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.86 -37.5 34.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -56.55 -52.32 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt 61.62 43.69 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.99 -173.11 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -51.29 63.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -49.96 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.0 mm-40 -48.67 -36.89 17.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 72' ' ' ILE . 24.9 t -71.48 -49.06 49.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -60.47 -34.9 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.34 -44.97 86.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -86.71 11.23 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.3 t30 39.16 61.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 67' ' ' VAL . 49.9 mt -105.09 118.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 7.9 ptp85 -55.35 121.33 8.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.499 HG22 HG11 ' A' ' 67' ' ' VAL . 20.8 t -93.12 128.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 29.0 m -125.1 171.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -90.8 168.0 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.52 -22.75 66.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.8 m-20 -57.81 -46.37 84.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.15 -39.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.2 -50.93 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . 4.7 tp60 -58.49 -25.88 62.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -86.95 -56.42 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.51 -36.84 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -78.05 -33.03 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.0 67.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.9 t -175.24 125.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -95.23 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -108.01 150.33 27.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 135.62 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mm? -39.98 -62.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.478 ' O ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -38.25 -54.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -56.09 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 82' ' ' ASP . 12.7 mt -43.26 -48.17 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 90' ' ' LEU . 19.8 m-30 -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 91' ' ' GLN . 1.5 mm? -57.82 -29.26 64.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.11 -20.08 57.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 67.7 m-70 -140.46 47.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.38 121.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 52' ' ' SER . 35.7 mt -96.63 -24.17 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.497 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.3 p -104.93 166.44 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.38 1.75 33.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.1 p90 -111.94 -164.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 2.6 mtmp? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.637 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.5 Cg_endo -74.94 -32.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' MET . 46.3 mt -85.7 -14.9 44.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -39.72 96.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 12' ' ' SER . 8.1 t-20 93.37 48.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -159.52 131.03 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.617 ' C ' HD12 ' A' ' 16' ' ' ILE . 28.9 mttt -91.93 129.97 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.769 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.6 mp -113.55 127.28 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.93 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -103.31 160.7 14.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.722 ' N ' HD13 ' A' ' 17' ' ' LEU . 74.9 p -138.81 148.71 44.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.924 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -132.34 175.45 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.32 -134.08 1.75 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 139.35 40.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 mt -107.92 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -85.28 172.57 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -86.86 147.49 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -50.12 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -63.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -39.18 -42.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -74.81 -56.14 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -43.63 -33.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -48.7 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.88 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.952 ' CD1' HD12 ' A' ' 40' ' ' LEU . 63.4 mt -70.64 -29.16 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -82.67 -48.95 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -35.62 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.3 mt -72.61 -3.47 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.32 -9.56 71.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -77.73 -167.56 29.74 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.9 mtmt -155.18 123.34 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.64 139.62 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -123.02 169.94 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.11 -47.75 2.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.4 m -79.96 160.53 25.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.382 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' HG12 ' A' ' 67' ' ' VAL . . . -93.34 -43.67 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -14.91 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 42.34 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -136.75 152.96 50.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -94.05 -32.91 13.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.542 HD11 HG22 ' A' ' 75' ' ' VAL . 5.7 tp -143.99 154.5 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.3 t -115.79 136.48 53.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.6 mt -122.62 95.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -133.73 -171.63 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.7 p -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.468 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.09 -55.12 34.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 6.7 tptm -39.48 -66.63 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.4 tm-20 -39.46 -62.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' THR . 12.2 t -49.11 -38.39 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.8 mt-10 -72.67 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -83.37 -37.38 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.5 mmt 58.78 56.47 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -72.84 172.39 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -49.47 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.924 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.28 -49.38 67.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.498 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 48.7 tpp -72.19 -15.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 2.4 mt-10 -84.12 -12.57 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.45 -31.1 18.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG12 ' HB1' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -79.98 -31.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -65.36 -27.89 68.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -78.65 -39.16 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 8.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 48.07 49.82 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.78 109.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.59 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.0 ptp180 -54.54 124.96 17.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 67' ' ' VAL . 3.9 t -92.52 115.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 49' ' ' LEU . 15.1 m -116.86 172.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -91.71 -173.86 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -78.61 -29.22 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -46.93 -44.13 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.0 t80 -43.98 -36.86 2.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.654 ' HA ' HG12 ' A' ' 83' ' ' VAL . 49.8 mt -67.46 -44.41 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.5 tp60 -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -89.23 -58.06 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 80' ' ' LEU . 5.5 p -49.86 -27.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.407 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -90.16 -35.38 15.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.04 64.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 29.7 t -140.19 159.23 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.9 p -119.64 15.84 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -114.5 -170.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.3 m -98.44 148.47 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -39.93 -50.17 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.77 -39.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.9 mm-40 -69.27 -68.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -38.41 -53.67 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 9.4 m-85 -47.66 -56.77 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 98' ' ' ILE . 2.1 mt -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -78.21 1.71 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 79.7 m-70 -150.39 29.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -83.58 122.69 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 52' ' ' SER . 33.8 mt -99.85 -22.56 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.44 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.0 p -106.9 174.09 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.93 -12.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.3 p90 -101.99 -165.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 9.1 mtmt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.424 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.02 -16.98 19.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.6 mt -104.75 -19.0 14.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -34.61 106.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.8 t30 83.85 54.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 51.4 mtp -159.24 125.78 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' C ' HD12 ' A' ' 16' ' ' ILE . 35.2 mtmt -88.81 110.52 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp -95.91 138.41 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.927 HD13 ' N ' ' A' ' 18' ' ' THR . 2.5 tm? -115.22 159.18 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.927 ' N ' HD13 ' A' ' 17' ' ' LEU . 13.9 p -132.62 126.85 33.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -113.11 117.44 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -112.72 4.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -176.7 138.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.809 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.71 -171.91 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -18.35 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -103.28 -177.46 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -98.56 151.21 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -50.25 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.72 -65.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.1 -37.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 33' ' ' ILE . 88.4 t -78.76 -55.05 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.4 ttmt -48.71 -31.67 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.57 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -54.73 38.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.673 ' CD1' HD12 ' A' ' 40' ' ' LEU . 14.2 mt -52.04 -32.1 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.63 -50.21 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.14 63.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.9 mt -81.65 4.68 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.83 -16.55 56.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -71.48 -163.63 5.85 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.23 131.12 5.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD12 ' CD1' ' A' ' 33' ' ' ILE . 5.9 tt -80.87 153.97 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.874 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 t -138.26 168.11 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.4 -40.39 3.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -83.37 163.41 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -99.12 -54.73 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 11.2 t30 -51.83 -28.95 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -99.3 41.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -139.74 150.98 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 m -97.93 -22.48 16.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mt -136.58 168.59 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.46 124.94 13.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HG22 ' A' ' 18' ' ' THR . 34.1 mt -111.42 95.66 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.696 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.5 t -128.13 -171.63 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 99' ' ' LEU . 27.8 p -114.33 173.13 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -62.81 -43.56 98.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -53.67 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -51.3 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.35 -22.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.47 -31.02 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -73.05 -37.05 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.475 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 mmt 54.08 53.09 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 22.3 t30 -86.61 165.46 16.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -39.65 -39.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.894 ' CB ' HD21 ' A' ' 19' ' ' LEU . 1.1 mmmt -55.02 -62.36 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 31.7 tpp -57.87 -21.81 44.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.72 -28.31 58.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.1 mm-40 -70.81 -25.16 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -96.8 -27.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -74.77 -19.99 59.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 7.8 pt-20 -81.7 -45.99 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -85.13 10.68 11.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 t30 44.2 65.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 28.7 mt -108.43 101.57 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.6 ptp85 -42.5 127.69 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.621 HG22 HG21 ' A' ' 67' ' ' VAL . 4.5 t -101.33 126.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 33.4 m -123.87 174.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.53 175.5 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -68.38 -31.7 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 m-20 -50.74 -40.13 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.4 t80 -37.01 -54.06 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' HA ' HG12 ' A' ' 83' ' ' VAL . 14.6 mt -55.2 -48.13 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -57.76 -21.19 40.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -94.08 -58.22 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -48.04 -36.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.06 -32.57 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -131.49 69.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -178.92 115.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 87' ' ' THR . 11.1 t -87.71 46.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.39 161.72 13.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -63.55 137.59 58.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.63 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -48.4 -56.64 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 7.0 mp0 -50.44 -49.33 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.32 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 93' ' ' LEU . 24.0 mt -47.09 -48.94 22.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.5 m-30 -55.38 -53.15 59.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.12 -34.25 74.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.77 -8.31 54.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -150.05 40.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.59 122.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 52' ' ' SER . 80.3 mt -97.6 -18.1 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 165.29 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -4.45 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -104.16 -163.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 11.0 mtmt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CB ' HG22 ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -20.95 16.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.8 mm? -109.16 2.32 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -45.23 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.2 t30 87.32 54.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 16' ' ' ILE . 38.3 mtp -154.42 129.03 9.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 22.1 mtpt -88.11 111.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.883 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -97.01 134.43 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.883 HD23 HG23 ' A' ' 41' ' ' THR . 1.6 tm? -113.9 158.85 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.802 ' N ' HD13 ' A' ' 17' ' ' LEU . 63.0 p -138.25 134.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 -98.41 1.09 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' HD22 ' A' ' 22' ' ' LEU . 1.4 ttpm? 176.99 139.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -91.88 -164.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -74.62 -26.34 59.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -97.52 -178.36 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -92.34 148.39 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -41.23 -60.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.39 -64.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.98 -44.24 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.6 t -73.16 -56.33 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -43.76 -34.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.95 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.404 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -53.15 -50.3 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 HD13 ' A' ' 16' ' ' ILE . 74.6 mt -55.37 -34.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.96 -46.53 18.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -29.68 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HB3' HD23 ' A' ' 11' ' ' LEU . 54.1 mt -79.77 1.69 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 -14.63 64.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.13 -165.4 14.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.7 mmtp -158.8 123.93 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.28 137.98 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.883 HG23 HD23 ' A' ' 17' ' ' LEU . 3.6 t -125.89 169.78 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.76 -46.63 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 44' ' ' ALA . 52.8 m -73.33 169.18 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 43' ' ' THR . . . -107.62 -48.8 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -61.93 -14.48 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.17 37.98 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -132.06 153.1 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -91.4 -31.48 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 50' ' ' CYS . 17.8 tp -145.3 161.33 39.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.495 ' H ' HD12 ' A' ' 49' ' ' LEU . 53.3 t -122.88 139.9 53.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 16' ' ' ILE . 63.5 mt -129.26 93.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.797 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.5 t -127.87 -171.51 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 32.5 p -111.79 159.08 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' N ' HD13 ' A' ' 99' ' ' LEU . 6.9 tppt? -45.7 -58.27 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -62.62 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.6 mm-40 -42.43 -66.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' MET . 64.6 t -44.69 -44.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.83 -38.05 74.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.47 -48.1 76.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.491 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.2 mmt 64.77 35.28 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.11 -176.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.7 -45.86 88.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.928 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.1 mttt -53.95 -31.07 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.777 ' SD ' HD13 ' A' ' 19' ' ' LEU . 32.1 tpp -92.3 -12.18 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.9 pt-20 -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.82 -26.25 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -27.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 28.4 tttm -70.66 -20.47 62.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.6 mm-40 -87.83 -37.76 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.65 8.73 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 46.26 52.48 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.95 114.17 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -58.28 133.48 55.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.0 t -102.51 123.12 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 51' ' ' ILE . 22.9 m -119.4 173.26 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.93 174.13 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.844 ' HB2' HD12 ' A' ' 22' ' ' LEU . 3.3 tm-20 -61.82 -39.87 93.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.3 m-20 -41.35 -41.9 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -38.07 -48.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 36' ' ' LEU . 19.3 mt -63.56 -46.1 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -58.8 -31.01 68.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.536 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.43 -60.52 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -44.94 -33.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 32' ' ' MET . 6.7 p -80.67 -38.58 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -131.44 70.56 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -170.52 121.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -87.15 43.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -110.17 143.33 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 92' ' ' GLU . 2.5 m -65.16 142.46 58.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.667 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 mm? -42.25 -60.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -43.18 -38.06 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.2 mm-40 -77.46 -51.05 11.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 82' ' ' ASP . 22.8 mt -51.04 -49.31 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.667 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -53.08 -54.3 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.37 -28.99 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.2 -4.66 45.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.5 m-70 -152.05 35.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.589 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.96 121.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 52' ' ' SER . 28.1 mt -95.08 -26.46 16.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 78.1 p -98.91 170.87 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 2.51 28.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 16.4 p90 -115.15 -166.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 1.5 mtmt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.721 ' HG2' HD22 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD23 HD13 ' A' ' 36' ' ' LEU . 2.5 mm? -91.36 6.62 44.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.538 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -47.73 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.1 t-20 82.28 54.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -154.41 131.21 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.752 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.3 mttt -89.39 127.73 35.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.806 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -115.91 136.79 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.75 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.2 tp -115.86 151.61 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 40.9 p -122.94 140.61 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -129.25 131.78 47.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -166.1 51.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -99.66 133.07 44.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.07 165.98 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -49.6 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -86.87 176.47 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -94.12 154.8 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -42.87 -60.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -47.12 -64.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.07 -39.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.4 t -77.22 -54.97 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HB2' HD13 ' A' ' 40' ' ' LEU . 9.5 tttm -46.89 -28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.98 -51.97 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.41 44.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.765 ' CG2' HD13 ' A' ' 16' ' ' ILE . 29.5 mt -55.52 -25.67 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.06 -59.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -49.46 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 84' ' ' SER . 10.5 mt -49.83 -43.28 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.32 -10.45 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.83 -158.47 32.12 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.8 mttt -160.77 134.65 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 30' ' ' LYS . 3.9 tt -74.31 145.82 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.52 HG21 ' HB2' ' A' ' 47' ' ' ALA . 9.4 t -132.08 166.93 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.9 -38.88 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -86.33 146.23 26.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -84.77 -45.44 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -14.54 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -119.71 44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.79 154.93 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -97.11 -29.6 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.729 HD11 HG22 ' A' ' 75' ' ' VAL . 11.7 tp -150.59 158.06 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.75 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -124.13 145.08 49.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.0 mt -128.25 95.13 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.1 t -127.25 -172.01 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 60.3 p -108.1 161.51 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -40.77 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -53.84 -51.78 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' THR . 21.8 t -48.53 -36.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.98 -26.35 56.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -79.71 -30.85 41.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.4 mmt 51.6 58.44 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -83.16 167.82 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.42 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HB2' HD21 ' A' ' 19' ' ' LEU . 21.2 mmtt -52.33 -49.2 64.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.483 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.1 tpp -66.46 -31.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -50.7 72.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.4 mm-40 -51.83 -35.75 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.814 HG13 ' HB ' ' A' ' 72' ' ' ILE . 40.2 t -75.05 -38.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 37.5 tttm -66.48 -40.22 89.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.69 -41.95 91.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -86.49 10.48 15.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 11.2 t30 40.06 54.37 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.814 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.5 mt -98.76 111.29 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -50.53 127.61 18.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 67' ' ' VAL . 3.9 t -100.41 114.93 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 HD11 ' A' ' 49' ' ' LEU . 31.0 m -112.5 168.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.477 ' HA ' HD11 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -81.7 173.13 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.04 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.94 60.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' GLN . 44.6 m-20 -52.85 -38.16 61.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 1.0 ' O ' HG22 ' A' ' 83' ' ' VAL . 59.3 t80 -42.84 -52.81 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 77.2 mt -49.15 -37.56 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.909 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -76.19 -25.28 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -82.57 -54.95 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -54.48 -41.72 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.785 ' CB ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.83 -16.58 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -136.22 59.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.9 t 179.68 134.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.5 p -105.66 35.55 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.47 171.94 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 m -73.48 141.6 46.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 4.0 mm? -52.18 -58.38 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.84 -49.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' LEU . 6.4 mm-40 -59.23 -65.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 68.1 mt -38.18 -54.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.654 ' HE1' HD22 ' A' ' 49' ' ' LEU . 13.4 m-85 -51.67 -48.61 63.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.87 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -65.68 -57.85 7.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -15.46 9.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 75' ' ' VAL . 95.2 m-70 -128.89 35.54 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.87 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -90.45 123.52 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 79.4 mt -99.14 -21.56 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.81 173.14 6.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 -13.56 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.419 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 12.0 p90 -99.32 -164.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.45 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.56 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 1.7 mttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -75.02 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD11 ' HZ ' ' A' ' 79' ' ' PHE . 2.7 mm? -79.95 -1.55 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.56 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -49.17 108.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' SER . 33.5 t30 85.12 55.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -165.46 128.61 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.619 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -88.46 121.15 30.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.759 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp -105.34 138.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 41' ' ' THR . 0.7 OUTLIER -108.48 163.14 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.667 ' N ' HD13 ' A' ' 17' ' ' LEU . 71.0 p -140.81 148.52 40.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -143.76 145.47 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.56 -148.7 44.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -122.81 125.56 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.53 168.56 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.3 t -49.6 -46.55 49.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -89.23 175.98 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -89.15 150.93 22.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -41.07 -61.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -45.6 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.3 -40.87 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.89 -53.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -48.6 -30.07 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.1 mmm -55.63 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.676 HG21 ' HB ' ' A' ' 16' ' ' ILE . 54.4 mt -40.53 -30.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' MET . 6.8 mt-10 -82.33 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.905 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -57.63 -33.87 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.905 HD22 ' HG3' ' A' ' 35' ' ' LYS . 1.7 mm? -77.44 -9.67 59.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.85 -22.94 24.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -65.7 -162.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -161.22 130.23 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.35 136.33 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.902 HG23 HD23 ' A' ' 17' ' ' LEU . 5.1 t -123.7 170.16 10.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.75 -40.57 2.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 46' ' ' LYS . 3.3 m -80.99 145.27 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.762 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -87.37 -45.38 10.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.534 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 7.0 t-20 -66.33 -11.05 48.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 43' ' ' THR . 3.2 tptp -115.93 37.94 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.78 156.23 48.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -93.7 -30.13 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 94' ' ' PHE . 12.0 tp -144.68 159.43 42.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 39.8 t -126.36 135.4 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 108.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.2 mt -119.38 94.13 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -126.46 -171.31 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.7 p -111.05 170.41 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.51 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -46.83 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.764 ' OE2' HD22 ' A' ' 19' ' ' LEU . 1.1 mm-40 -39.93 -63.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' THR . 42.5 t -48.32 -42.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.5 -25.67 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.32 -30.96 30.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.489 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.9 mmt 51.99 56.38 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' MET . 22.8 t-20 -83.91 167.17 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -44.46 -55.74 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.778 ' CB ' HD21 ' A' ' 19' ' ' LEU . 15.7 mmmt -46.08 -33.27 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.489 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 50.5 tpp -88.14 -24.84 23.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.5 pt-20 -67.92 -37.99 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 69' ' ' GLU . 4.9 mm-40 -65.44 -29.93 70.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' A' ' 72' ' ' ILE . 91.4 t -81.28 -30.92 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -73.01 -46.47 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 12.6 pt-20 -55.91 -44.61 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -82.67 5.24 21.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 5.9 t30 46.14 55.58 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.799 ' HB ' HG13 ' A' ' 67' ' ' VAL . 97.8 mt -99.04 111.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.4 ptp180 -48.35 125.1 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 67' ' ' VAL . 5.2 t -99.25 114.36 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 HD11 ' A' ' 49' ' ' LEU . 15.5 m -114.25 176.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -173.8 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.18 -34.61 59.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -42.11 -49.48 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.533 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 5.1 t80 -39.17 -37.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 77' ' ' GLU . 39.0 mt -67.38 -51.89 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ASP . 32.6 tp60 -58.06 -25.08 60.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -84.87 -58.5 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -46.32 -35.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 p -79.45 -37.08 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.84 71.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.3 t -149.89 132.13 15.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.6 p -91.78 8.85 35.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.52 -165.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' GLU . 48.8 m -111.59 150.85 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 ' CB ' ' A' ' 10' ' ' PRO . 3.9 mm? -39.85 -56.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.0 -40.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.6 mm-40 -67.46 -68.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' CD1' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -36.13 -54.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 7.6 m-85 -47.07 -57.49 5.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -34.62 75.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.95 1.02 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 87.0 m-70 -151.71 30.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -83.72 122.66 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 52' ' ' SER . 81.9 mt -100.4 -18.45 16.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -112.97 162.05 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -19.86 21.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 10.6 p90 -91.28 -162.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' TRP . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -177.4 91.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -172.58 147.36 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.93 88.09 2.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -160.96 167.59 26.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m 63.07 105.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.59 -164.49 24.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.21 93.75 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.545 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 9.0 mtmt -131.89 92.84 28.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.9 mm? -67.7 -9.89 47.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -38.04 106.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t-20 81.98 54.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.428 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 48.7 mtp -155.76 128.12 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 16' ' ' ILE . 22.2 mttt -91.24 108.5 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -96.21 139.4 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.3 tp -113.64 151.2 32.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 40' ' ' LEU . 71.0 p -129.94 147.68 51.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.2 mt -140.6 172.46 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 47.43 -147.8 3.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -118.86 130.56 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.22 172.7 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -54.92 -44.88 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -94.16 177.96 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.1 t30 -92.24 162.11 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -42.5 62.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.74 -62.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -43.04 -36.29 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' ASN . 85.9 t -80.51 -52.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -48.21 -33.84 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.37 -51.52 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.2 mmm -54.06 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.744 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.1 mt -45.76 -28.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.08 -33.34 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.868 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.48 -34.13 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HG3' ' A' ' 35' ' ' LYS . 2.2 mm? -75.11 -13.66 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.02 -15.98 25.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.67 -161.3 8.25 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -161.25 129.21 4.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.744 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.95 138.01 42.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -128.79 169.58 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.99 -32.55 4.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.44 ' O ' HD13 ' A' ' 17' ' ' LEU . 53.6 m -86.88 139.66 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.55 -43.55 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -17.16 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -116.56 45.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.08 158.43 44.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 t -107.06 -28.53 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.042 HD11 ' CE1' ' A' ' 94' ' ' PHE . 5.3 mt -133.59 170.13 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.6 t -145.09 120.9 10.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.333 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 80' ' ' LEU . 32.6 mt -108.77 95.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.3 t -129.43 -172.11 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -113.5 156.26 23.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -44.74 34.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -50.87 64.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' OE2' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.71 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.4 -27.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.18 -38.77 50.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.62 -49.55 77.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.48 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 62.65 39.37 11.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -69.41 -173.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -40.33 86.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.81 -60.66 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.48 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 53.4 tpp -58.31 -28.53 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -45.99 92.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.6 mm-40 -54.3 -38.68 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.741 HG13 ' HB ' ' A' ' 72' ' ' ILE . 31.7 t -68.89 -40.02 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 42.7 tttm -68.31 -32.65 72.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.37 -44.33 71.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.47 8.72 18.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 42.69 64.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.741 ' HB ' HG13 ' A' ' 67' ' ' VAL . 56.7 mt -110.97 115.85 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 3.9 ptm180 -57.01 127.99 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.434 HG22 HG11 ' A' ' 67' ' ' VAL . 13.1 t -98.94 126.84 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 23.6 m -119.92 173.81 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 p -87.8 179.49 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -32.73 60.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -50.24 -25.87 4.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.64 -44.63 81.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 51' ' ' ILE . 34.4 mt -64.72 -38.48 91.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.77 -21.6 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -93.02 -55.14 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -44.13 -30.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -35.58 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -123.61 61.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -168.6 125.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.6 p -94.19 40.24 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 155.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 m -72.19 141.39 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 3.4 mm? -44.12 -60.51 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -41.0 -49.09 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.7 mm-40 -66.74 -53.38 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 93' ' ' LEU . 23.3 mt -47.28 -49.25 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.042 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.2 m-30 -54.14 -53.44 53.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.91 -27.51 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.12 -9.74 58.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.3 m-70 -149.7 39.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.45 121.51 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.8 mt -95.59 -27.18 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.0 p -101.18 167.87 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.01 -14.41 17.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -99.57 -164.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.045 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.475 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 92.58 63.42 1.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.79 -174.5 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.685 ' O ' HG23 ' A' ' 106' ' ' VAL . 8.5 mt-10 -50.43 117.93 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 105' ' ' GLU . 3.4 t -159.58 158.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -40.78 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.85 173.97 6.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.14 -146.3 18.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.81 133.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.1 p -151.41 164.62 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -71.25 122.24 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 p -134.31 127.71 32.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.87 88.76 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -114.43 145.91 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 t -155.9 -60.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.07 -154.9 25.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 63.53 -175.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CB ' ' CB ' ' A' ' 12' ' ' SER . 4.2 mttt 58.12 93.57 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.702 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.04 -15.11 20.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' ASN . 13.1 mt -113.18 -5.8 13.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.569 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -41.52 95.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.8 t-20 87.45 51.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.71 131.39 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.743 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.6 mttp -90.48 131.34 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.841 HD13 ' CG2' ' A' ' 33' ' ' ILE . 2.0 mp -116.35 143.0 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 42' ' ' GLY . 1.2 tp -119.14 152.03 37.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -126.5 144.96 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.3 mt -134.89 155.94 49.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.16 -163.63 3.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -97.26 144.4 27.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 12.3 mt -121.78 174.68 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -64.78 -44.05 91.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 178.81 5.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -95.02 143.53 26.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -40.69 -42.29 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -60.26 -64.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -40.52 -42.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.656 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.5 t -73.97 -53.61 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -45.09 -41.33 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.54 -40.31 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.12 -53.06 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 16' ' ' ILE . 27.0 mt -57.74 -27.45 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.98 -52.29 6.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -47.04 70.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 15.2 mt -54.82 -41.06 70.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.65 -9.41 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -82.53 -157.28 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.87 126.88 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.823 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.43 136.9 42.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -130.16 169.08 15.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -103.65 -31.34 4.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.431 ' O ' HD13 ' A' ' 17' ' ' LEU . 29.5 m -88.12 144.08 26.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' CB ' ' HG3' ' A' ' 66' ' ' GLU . . . -83.27 -54.01 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -24.18 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -110.25 46.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 160.92 39.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -113.62 -27.95 7.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.1 tp -132.87 164.08 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 5.8 t -143.65 120.04 10.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mt -107.73 95.99 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.601 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -125.58 -172.64 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -111.48 153.43 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -51.15 17.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -52.93 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.766 ' OE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.5 -67.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' MET . 55.3 t -43.47 -40.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -57.78 -46.77 84.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 63.46 34.42 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 64' ' ' MET . 63.9 t30 -67.61 170.75 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -47.52 -53.46 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.855 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.1 mmtp -51.84 -25.57 8.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.756 ' HE1' HD13 ' A' ' 19' ' ' LEU . 52.8 tpp -92.0 -34.28 14.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.4 mm-40 -63.73 -42.09 97.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG3' ' CB ' ' A' ' 44' ' ' ALA . 14.3 pt-20 -56.74 -39.82 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.567 HG13 ' HB ' ' A' ' 72' ' ' ILE . 42.6 t -69.92 -36.37 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 29.7 tttm -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.46 -46.67 88.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.31 2.79 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t30 46.59 63.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.567 ' HB ' HG13 ' A' ' 67' ' ' VAL . 25.3 mt -106.61 108.49 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 7.9 ptp85 -49.18 126.52 12.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 23.0 t -97.72 132.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -128.51 172.3 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 p -87.67 -177.98 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -36.21 57.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -49.62 -27.53 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -49.61 -49.65 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 83' ' ' VAL . 54.6 mt -59.35 -38.52 80.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 10.8 tp60 -63.81 -25.61 68.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -93.61 -55.26 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -52.02 -35.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HD21 ' A' ' 36' ' ' LEU . 8.1 t -81.6 -30.38 32.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -131.62 67.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.7 t -179.45 123.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.6 p -90.34 46.35 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.71 154.7 19.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 m -67.86 135.37 52.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 2.5 mm? -43.05 -63.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.63 -44.79 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.87 -59.02 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 50.3 mt -44.77 -48.7 10.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' LEU . 20.9 m-30 -53.17 -55.92 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -27.12 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.79 -11.0 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 96.0 m-70 -148.63 44.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.92 121.58 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' SER . 26.5 mt -95.1 -27.36 15.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.1 p -101.72 165.12 11.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.0 -15.48 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -95.65 -170.85 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.675 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . 97.48 55.32 1.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 103' ' ' GLY . . . 82.98 137.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 163.38 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 106' ' ' VAL . 7.2 p -172.6 72.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.36 142.71 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t -93.89 140.89 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.1 -146.1 4.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.54 22.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.0 t -123.59 88.97 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -59.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.23 145.76 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.036 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 m -102.31 170.02 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.27 -178.88 48.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 p -170.89 110.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.34 160.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.08 63.34 0.57 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -178.04 67.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.4 mtmt -121.12 93.2 48.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.606 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.0 -22.75 14.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASN . 18.0 mt -105.57 -5.74 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -39.48 94.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 12' ' ' SER . 11.2 t-20 86.86 49.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.4 mmm -144.31 124.93 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -88.26 107.88 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.5 mp -95.07 140.41 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -111.26 161.26 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.3 p -138.38 152.2 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.953 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.1 mt -144.66 161.12 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.08 -146.56 39.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.75 140.23 53.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -114.74 178.74 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -41.21 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -90.87 -178.18 5.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -98.59 148.5 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -44.62 -33.11 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -64.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.18 -34.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 80' ' ' LEU . 91.0 t -83.02 -50.63 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -50.97 -29.77 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.47 35.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 84' ' ' SER . 0.8 OUTLIER -60.32 -56.24 23.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.691 ' CD1' HD12 ' A' ' 40' ' ' LEU . 42.4 mt -53.49 -27.78 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.17 -52.56 6.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.38 66.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mt -57.34 -39.78 76.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.57 -12.97 3.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -79.27 -158.65 14.14 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -162.98 128.23 3.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.7 135.21 41.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.685 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -125.12 170.04 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.441 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.66 -36.59 5.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 3.1 m -80.38 168.2 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -107.27 -46.46 3.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.34 -19.04 53.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -107.06 40.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -142.31 151.66 42.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 33.0 t -97.28 -30.61 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 79' ' ' PHE . 5.9 tp -128.37 160.41 32.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.7 t -136.32 110.59 8.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.4 mt -95.78 96.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.718 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.3 t -129.37 -172.37 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.4 p -113.73 157.84 21.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.25 -51.02 48.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -46.98 -59.79 2.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -45.76 -61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 53' ' ' THR . 26.0 t -48.94 -34.99 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.04 -28.79 61.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -76.44 -38.58 55.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.0 mmt 57.43 54.15 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 9.4 t30 -74.25 174.62 8.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -53.08 -43.73 66.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.953 ' CB ' HD21 ' A' ' 19' ' ' LEU . 14.1 mmtt -56.09 -56.83 16.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.9 tpp -62.48 -19.05 63.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -78.04 -29.61 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -69.6 -24.95 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.76 -26.4 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 36.2 tttm -71.72 -20.87 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.7 mm-40 -85.07 -41.49 15.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 9.73 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.572 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 11.0 t30 43.85 61.09 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 46.3 mt -104.65 104.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -45.53 131.42 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 8.6 t -100.53 128.59 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 35.7 m -124.74 172.02 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.29 177.55 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -14.28 61.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -70.83 -17.47 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.6 t80 -65.26 -41.62 94.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.608 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 33.3 tp60 -62.03 -30.91 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.68 -54.98 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -51.77 -28.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 32' ' ' MET . 8.7 t -91.51 -30.94 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -128.16 62.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.2 t -172.3 123.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.5 p -90.22 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -106.46 163.58 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 m -77.45 141.48 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.013 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.2 mm? -45.01 -59.99 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -48.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.52 -57.34 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 82' ' ' ASP . 28.0 mt -43.84 -50.34 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.013 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 23.0 m-30 -52.05 -55.17 22.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.87 -27.79 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.86 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 79.7 m-70 -147.08 40.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -90.49 121.88 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 52' ' ' SER . 22.9 mt -94.41 -28.58 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.408 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 12.2 p -102.32 177.01 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.88 -14.98 14.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.408 ' CH2' HG13 ' A' ' 57' ' ' VAL . 14.4 p90 -94.64 -168.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.453 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 100.63 63.59 0.79 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.572 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -145.08 -170.16 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -47.69 145.81 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 107' ' ' LYS . 4.2 p -172.58 179.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.701 ' H ' HG22 ' A' ' 106' ' ' VAL . 2.4 tmtt? -91.33 74.82 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.0 p -118.21 -58.22 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.97 163.76 29.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 p -40.32 134.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.041 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.94 166.86 21.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -56.68 135.38 55.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -164.85 136.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.68 -135.21 1.97 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 p 57.65 169.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.975 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -159.43 165.47 33.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.14 136.45 2.0 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.51 81.41 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.6 mtmt -126.73 91.34 47.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.725 ' CD ' HD12 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -74.99 -40.63 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.724 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.8 mm? -80.16 -21.95 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.525 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -33.22 107.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 81.67 55.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.589 ' O ' HD12 ' A' ' 16' ' ' ILE . 47.8 mtp -158.98 125.66 4.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -89.49 106.15 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.901 HD13 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -97.31 133.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -111.03 150.88 28.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.426 ' CG2' HD11 ' A' ' 40' ' ' LEU . 75.5 p -125.42 150.75 46.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.862 HD21 ' CB ' ' A' ' 63' ' ' LYS . 2.4 mt -136.68 174.51 10.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.19 -149.12 0.94 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 126.56 48.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 172.27 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -42.84 73.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -92.39 174.6 7.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.94 151.29 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -59.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -47.69 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.18 -40.23 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.43 -52.19 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.22 -35.11 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -69.76 -46.57 65.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -62.35 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 16' ' ' ILE . 41.9 mt -49.14 -37.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.48 -30.68 61.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.74 -45.99 66.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.6 mm? -63.77 -11.55 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.42 -11.09 36.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.97 -159.24 8.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.8 mttt -162.64 127.99 3.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.41 137.71 42.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -123.75 169.83 11.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -105.19 -37.15 2.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -86.56 136.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -75.14 -55.99 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -45.72 -38.03 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -96.42 45.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -137.14 156.71 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.9 m -105.77 -31.07 9.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.5 mt -136.23 169.08 18.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.9 t -143.87 126.59 16.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.9 mt -114.1 95.06 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -126.73 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.3 p -111.65 158.72 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -45.83 -56.35 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -41.6 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 2.4 mm-40 -38.0 -64.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 24.5 t -49.03 -40.65 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.6 mt-10 -69.24 -24.9 64.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 5.8 mmtt -78.74 -32.75 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.7 mmt 55.56 34.48 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.41 173.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.93 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.862 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.5 mmtt -54.14 -53.58 51.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 35.1 tpp -65.01 -18.98 65.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.97 -30.72 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 1.5 mm-40 -68.86 -23.58 64.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -93.08 -25.53 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -72.57 -19.39 61.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.56 11.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.04 6.86 20.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 47.95 61.89 2.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.3 mt -104.85 90.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -37.02 129.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 67' ' ' VAL . 3.4 t -100.71 118.41 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 19.8 m -114.92 171.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t -88.03 -176.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -33.66 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -48.55 -30.12 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -55.36 -46.14 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HA ' HG12 ' A' ' 83' ' ' VAL . 31.3 mt -59.86 -38.61 82.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -66.04 -38.36 88.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.47 ' CA ' ' HB2' ' A' ' 86' ' ' SER . 0.3 OUTLIER -76.91 -56.24 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG11 HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -49.53 -25.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.592 ' HA ' HD11 ' A' ' 36' ' ' LEU . 8.9 t -87.98 -31.77 19.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -148.15 75.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB2' ' CA ' ' A' ' 82' ' ' ASP . 16.7 t -151.29 146.01 25.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.638 ' O ' HG23 ' A' ' 87' ' ' THR . 6.5 t -105.48 42.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -126.27 155.8 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -69.68 150.88 46.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -49.41 -54.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -50.95 -51.55 51.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.44 -44.94 92.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 88' ' ' LYS . 54.6 mt -53.85 -48.68 69.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 49' ' ' LEU . 21.7 m-30 -53.96 -54.28 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -28.47 69.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.94 -6.89 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 93.9 m-70 -151.35 37.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.649 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.43 121.52 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 52' ' ' SER . 44.4 mt -96.23 -22.49 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -104.09 170.08 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.53 -3.67 23.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.2 p90 -107.92 -163.69 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.17 62.32 1.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.88 -169.63 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.21 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.96 162.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.63 75.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.71 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.76 156.87 13.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.81 3.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -91.01 -59.5 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.0 m 67.01 163.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -59.69 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.935 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.72 162.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.54 104.31 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.8 141.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -176.41 148.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.36 -111.02 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.0 173.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 0.773 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.8 mtmt 73.1 81.2 0.16 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.766 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 -17.83 19.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 36' ' ' LEU . 1.3 mm? -107.35 1.66 23.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -47.82 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.9 t-20 88.23 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -154.88 131.76 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.3 mttp -92.88 128.41 38.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.812 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.2 mp -117.51 137.71 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -113.54 150.55 32.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.1 p -128.39 151.6 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 ' HB3' ' A' ' 63' ' ' LYS . 1.3 mt -140.94 175.29 9.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.39 -150.54 3.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -118.15 131.08 56.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.15 166.62 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -51.81 -46.48 64.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -91.41 178.13 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -92.68 153.49 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -44.28 -59.93 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -47.01 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.03 -42.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.53 HG12 ' CD1' ' A' ' 33' ' ' ILE . 77.7 t -73.99 -55.01 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -45.17 -31.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.72 -47.01 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.825 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.2 mmm -60.31 -47.15 87.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.754 ' CD1' HD12 ' A' ' 40' ' ' LEU . 74.4 mt -59.84 -35.22 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.68 -40.48 33.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -28.88 69.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.825 HD11 ' HE3' ' A' ' 32' ' ' MET . 44.7 mt -83.8 7.52 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -16.94 56.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -70.19 -164.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -163.27 123.32 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.754 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.47 136.66 42.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -127.78 169.15 14.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -100.96 -41.45 2.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 85.8 m -80.54 145.73 31.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.425 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -88.09 -48.28 7.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 43' ' ' THR . 2.3 p-10 -58.36 -17.11 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -115.22 43.43 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.02 162.78 29.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -105.88 -26.35 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 50' ' ' CYS . 13.4 tp -152.83 160.55 43.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.51 ' H ' HD12 ' A' ' 49' ' ' LEU . 13.0 t -127.29 139.39 52.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 16' ' ' ILE . 57.0 mt -126.13 95.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.815 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -130.31 -172.2 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 20.1 p -111.4 157.76 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -42.96 -57.81 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.7 mm-40 -41.81 -68.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 74' ' ' VAL . 95.5 t -46.65 -32.89 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.93 -37.61 70.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.51 -48.47 81.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.546 ' HE1' ' CH2' ' A' ' 102' ' ' TRP . 3.5 mmt 63.14 38.07 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 63' ' ' LYS . 5.7 p30 -70.25 -169.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -61.53 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.822 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.48 -54.26 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.562 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 46.2 tpp -62.6 -38.01 88.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 61' ' ' ASN . 0.5 OUTLIER -54.67 -47.51 73.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -51.28 -38.9 55.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.823 HG13 ' HB ' ' A' ' 72' ' ' ILE . 30.1 t -68.16 -39.55 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -65.66 -41.27 92.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.15 -41.07 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.47 9.16 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' ALA . 12.1 t30 40.01 54.81 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.823 ' HB ' HG13 ' A' ' 67' ' ' VAL . 77.8 mt -98.84 119.54 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.521 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -54.41 135.36 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 57' ' ' VAL . 4.0 t -109.58 114.92 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 94' ' ' PHE . 32.1 m -112.05 168.87 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.405 ' OG ' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -90.68 170.85 9.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -17.43 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.51 -28.43 69.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.414 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 9.1 t80 -59.66 -46.48 88.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.4 mt -54.92 -50.48 68.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.3 -27.57 64.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.634 ' CG ' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -83.85 -56.9 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.766 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -48.4 -28.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 t -86.66 -30.22 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -128.91 62.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 t -164.88 151.27 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.3 p -123.38 32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -99.14 174.3 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -78.92 144.96 34.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.9 mm? -51.51 -58.97 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -40.42 -56.16 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.02 -53.81 52.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.634 HD22 ' CG ' ' A' ' 82' ' ' ASP . 22.0 mt -47.42 -58.81 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 22.1 m-85 -48.04 -47.45 33.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.825 ' C ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.68 -59.25 5.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.94 -18.38 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 78.7 m-70 -129.43 41.78 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -94.69 123.18 46.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 52' ' ' SER . 16.9 mt -96.78 -17.34 20.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 5.6 p -109.85 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -5.56 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 100' ' ' SER . 20.1 p90 -109.16 -164.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 90.46 57.55 1.64 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.04 116.68 32.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.95 160.31 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.5 t -124.08 88.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.85 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.1 p -162.92 84.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.41 157.44 15.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -128.74 103.94 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -39.87 144.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -115.09 135.36 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 63.71 156.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.01 104.94 0.64 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.098 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.03 111.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -162.61 162.97 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.09 -153.12 15.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 64.07 174.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 2.1 mttt 69.11 79.91 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.577 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -75.03 -15.2 20.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 12' ' ' SER . 38.0 mt -109.59 -16.13 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -31.89 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.2 t30 87.27 54.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 49.8 mtp -159.2 127.03 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -92.08 110.82 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.4 mp -95.18 136.76 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 18' ' ' THR . 1.6 tm? -114.37 161.79 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.2 p -135.96 144.42 45.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -136.58 124.5 22.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.57 -164.58 37.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.3 133.95 45.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.05 165.96 11.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.9 t -49.5 -46.18 47.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -89.93 179.06 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -92.69 152.49 19.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -43.38 11.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.18 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -42.03 -35.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.11 -51.69 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -51.4 -27.63 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.39 -51.2 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.591 ' HE3' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -53.56 -56.5 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.951 HD12 HD12 ' A' ' 40' ' ' LEU . 78.6 mt -49.89 -34.81 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -78.79 -44.38 23.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -61.85 -29.66 70.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 ' HE3' ' A' ' 32' ' ' MET . 37.2 mt -83.31 7.98 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.95 -10.89 59.11 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.45 -169.84 22.78 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -150.67 134.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.951 HD12 HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -86.11 139.45 31.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.834 HG23 HD23 ' A' ' 17' ' ' LEU . 3.9 t -124.86 167.14 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 -43.25 2.94 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -80.45 158.84 25.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -95.73 -44.3 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.94 -33.76 73.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -96.1 38.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.19 158.78 37.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.8 m -101.18 -28.27 12.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD22 ' HE1' ' A' ' 94' ' ' PHE . 8.5 tp -149.14 156.81 42.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 35.5 t -121.8 143.44 49.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 16' ' ' ILE . 49.6 mt -128.03 94.94 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.81 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -129.82 -172.1 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 p -109.0 161.86 14.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.15 -54.44 30.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -49.43 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -53.1 -68.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' HG11 ' A' ' 74' ' ' VAL . 52.1 t -46.49 -25.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-10 -77.79 -41.02 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -57.51 -37.73 73.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.567 ' HE1' ' HD2' ' A' ' 68' ' ' LYS . 2.1 mmt 52.34 53.58 12.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.15 175.41 8.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -47.69 -41.36 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.864 ' CB ' HD21 ' A' ' 19' ' ' LEU . 13.2 mmtt -58.19 -52.9 63.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.472 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 40.2 tpp -65.03 -24.56 67.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.44 -49.9 69.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 5.1 mm-40 -51.97 -34.57 42.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.752 HG13 ' HB ' ' A' ' 72' ' ' ILE . 36.1 t -75.77 -40.25 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 9.4 tttt -65.63 -42.55 91.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.02 -42.78 99.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.21 8.39 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.1 t30 42.1 54.9 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.752 ' HB ' HG13 ' A' ' 67' ' ' VAL . 85.0 mt -99.82 115.48 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 0.1 OUTLIER -54.37 121.52 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 67' ' ' VAL . 4.0 t -93.74 114.37 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 18.1 m -113.71 172.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -173.31 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -23.3 38.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 67.1 m-20 -52.6 -40.89 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 t80 -43.26 -42.29 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.56 ' HA ' HG12 ' A' ' 83' ' ' VAL . 63.2 mt -64.26 -40.1 95.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.5 tp-100 -68.09 -34.8 77.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -79.47 -60.22 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 80' ' ' LEU . 4.4 p -45.97 -33.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -81.09 -37.99 28.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.14 72.66 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.2 t -145.28 134.03 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 p -86.29 13.64 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.36 -165.78 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 17.0 m -116.11 152.79 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 10' ' ' PRO . 4.2 mm? -38.09 -56.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.04 -47.54 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 96' ' ' ALA . 27.2 mm-40 -59.23 -66.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.6 OUTLIER -41.22 -60.01 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.659 ' HE1' HD22 ' A' ' 49' ' ' LEU . 9.6 m-85 -41.32 -30.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 92' ' ' GLU . 8.6 mt -98.17 -35.82 10.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.94 2.02 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 99.5 m-70 -145.14 22.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.636 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -74.89 123.21 30.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 52' ' ' SER . 14.2 mt -102.0 -19.54 15.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -110.79 177.05 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.94 -16.62 14.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 9.7 p90 -96.07 -166.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.02 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.78 64.24 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.25 117.72 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.53 162.63 24.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 m -49.18 175.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.33 162.73 28.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.01 111.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.78 173.64 31.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.74 14.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.3 p -53.57 171.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -59.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.21 -59.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 p -148.55 165.85 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 111.82 -140.81 16.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t 66.48 -73.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.031 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' GLY . 28.0 t -42.43 151.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.71 131.15 0.43 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.01 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 4.8 mtmt 70.14 81.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.535 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 -20.85 16.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -111.48 2.56 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -40.14 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 12' ' ' SER . 17.7 t30 88.45 51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.711 ' O ' HD12 ' A' ' 16' ' ' ILE . 2.6 mmm -143.89 123.35 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -82.97 107.09 15.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.863 HD13 HG23 ' A' ' 33' ' ' ILE . 3.9 mp -95.29 132.24 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -104.77 159.41 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.699 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.9 p -139.43 153.95 47.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 63' ' ' LYS . 2.6 mt -144.98 173.11 12.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 41.18 -147.54 0.34 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' O ' HG21 ' A' ' 53' ' ' THR . 22.8 tptm -116.93 137.88 51.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mt -110.74 166.77 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -48.52 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -86.6 174.42 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' LYS . 88.9 m-20 -87.43 143.73 27.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' ASN . 5.0 tttt -40.05 -51.59 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.3 -64.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.64 -43.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG12 ' CD1' ' A' ' 33' ' ' ILE . 71.4 t -72.58 -54.73 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -43.75 -43.18 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.97 73.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.97 -47.4 85.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.88 ' CD1' HD12 ' A' ' 40' ' ' LEU . 77.4 mt -60.3 -34.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -78.42 -43.32 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -29.0 70.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD12 HD22 ' A' ' 80' ' ' LEU . 48.2 mt -82.67 5.57 20.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.06 -14.35 60.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.18 -165.84 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -157.34 133.88 9.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.88 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.41 135.41 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.711 HG23 HD23 ' A' ' 17' ' ' LEU . 8.5 t -127.53 169.7 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.06 -37.78 4.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 44' ' ' ALA . 92.9 m -78.92 167.54 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.751 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -106.77 -50.03 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.12 -17.16 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -108.18 38.59 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -140.88 151.65 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -94.95 -31.95 13.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.5 tp -127.7 163.35 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 67' ' ' VAL . 42.3 t -138.94 110.59 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.249 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 18' ' ' THR . 19.3 mt -98.79 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.576 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.5 t -128.45 -172.04 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 21' ' ' LYS . 55.5 p -110.15 154.89 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' LYS . 1.2 tppt? -48.33 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -39.17 -66.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.2 OUTLIER -39.37 -60.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 53' ' ' THR . 12.0 t -49.96 -39.39 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.8 mt-10 -74.26 -23.29 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -82.68 -39.68 21.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.621 ' HE2' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 58.54 58.78 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -84.21 164.16 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -48.59 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -51.73 -59.28 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.621 ' HG3' ' HE2' ' A' ' 60' ' ' MET . 54.4 tpp -58.43 -37.03 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -46.41 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.6 -41.72 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.756 HG13 ' HB ' ' A' ' 72' ' ' ILE . 39.5 t -66.99 -37.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 40.9 tttm -69.06 -34.65 75.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.5 -45.74 82.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.22 8.48 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 42.99 58.77 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.756 ' HB ' HG13 ' A' ' 67' ' ' VAL . 57.1 mt -102.68 111.68 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD2' ' A' ' 94' ' ' PHE . 8.8 ptp85 -50.6 126.05 14.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.47 HG22 HG11 ' A' ' 67' ' ' VAL . 15.0 t -96.2 127.35 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -124.58 171.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.36 -177.71 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -33.62 64.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -35.82 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -45.13 -50.84 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.677 ' HA ' HG12 ' A' ' 83' ' ' VAL . 38.3 mt -56.39 -45.51 80.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -57.1 -22.61 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.617 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -94.76 -53.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.677 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -56.59 -24.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.535 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.1 t -91.12 -19.17 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.82 64.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 41.7 t -153.35 141.49 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -110.57 45.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -129.11 -163.95 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -96.29 161.45 13.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.749 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.1 mm? -60.57 -47.37 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.53 -60.42 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -53.19 -40.42 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 92' ' ' GLU . 80.6 mt -67.19 -42.71 83.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.749 ' CE1' HD12 ' A' ' 90' ' ' LEU . 18.4 m-30 -61.25 -53.17 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.5 -29.02 68.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 92' ' ' GLU . . . -78.07 0.07 26.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 96' ' ' ALA . 96.5 m-70 -158.05 35.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.1 122.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' SER . 27.7 mt -96.05 -27.24 15.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 84.6 p -103.52 168.52 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.24 -12.69 19.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 9.1 p90 -99.93 -167.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.443 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 102.43 59.6 0.75 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.27 -171.55 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 125.85 9.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 m -78.93 167.59 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 122.86 19.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t 51.91 83.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -42.13 115.28 0.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.24 2.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 167.03 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m 63.29 130.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -135.83 129.42 32.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.05 146.36 47.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.46 139.6 2.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -159.98 148.89 17.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p 173.62 154.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.89 -174.83 18.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.36 82.54 7.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.533 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 3.9 mtmt -119.92 95.06 49.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.688 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' ' 36' ' ' LEU . 23.8 mt -66.76 -13.7 61.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.595 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -42.58 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.9 t30 91.0 44.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -151.77 121.89 7.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.7 mttt -83.89 126.03 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.9 mp -107.98 136.38 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -112.32 161.15 16.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.725 ' N ' HD13 ' A' ' 17' ' ' LEU . 51.9 p -137.04 145.65 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -131.42 161.97 31.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.712 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 56.91 -141.17 43.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.5 122.69 28.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mt -93.56 171.0 9.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -62.1 -45.04 95.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -84.48 174.23 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -90.05 146.66 24.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.32 -48.91 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -55.34 -65.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.14 -37.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.49 -53.97 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -47.03 -33.08 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.95 -49.19 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -52.14 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.697 HD12 HD12 ' A' ' 40' ' ' LEU . 50.0 mt -59.76 -34.56 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.83 -27.9 58.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.808 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.22 -50.36 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.808 HD22 ' HD2' ' A' ' 35' ' ' LYS . 4.2 mm? -56.14 -21.59 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.59 -6.05 18.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.05 -162.2 32.1 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.18 128.53 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.697 HD12 HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -74.38 139.0 43.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 17' ' ' LEU . 4.8 t -125.6 169.39 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.41 -43.82 2.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.589 HG21 ' CD ' ' A' ' 46' ' ' LYS . 6.2 m -78.69 159.53 27.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -96.8 -40.61 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -64.14 -32.89 74.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CD ' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -95.58 36.67 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.97 161.17 30.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -103.69 -27.36 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.5 tp -148.36 161.33 41.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.657 ' H ' HD12 ' A' ' 49' ' ' LEU . 9.5 t -126.63 142.24 51.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -126.4 94.99 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.753 ' O ' HD12 ' A' ' 99' ' ' LEU . 7.6 t -127.33 -172.13 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 67.1 p -115.22 161.24 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -48.16 -54.07 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.43 -66.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -39.18 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.11 -56.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -52.3 -24.51 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.3 ptpt -78.5 -39.69 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.1 mmt 57.5 53.15 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' HB2' ' CD ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -86.19 174.81 8.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -47.77 -56.01 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.32 -43.41 10.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.918 ' HE1' HD13 ' A' ' 19' ' ' LEU . 40.3 tpp -75.67 -23.23 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -68.89 -42.8 76.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 9.8 mm-40 -59.61 -29.36 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.771 HG13 ' HB ' ' A' ' 72' ' ' ILE . 60.8 t -82.81 -34.57 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -71.01 -46.17 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 18.5 pt-20 -56.67 -42.87 79.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' GLU . . . -86.65 7.16 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 t30 44.67 53.35 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.771 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.6 mt -95.6 118.16 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.487 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.22 127.81 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 67' ' ' VAL . 9.4 t -102.75 115.04 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 49' ' ' LEU . 21.4 m -114.8 173.54 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -94.1 176.93 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -8.88 57.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -76.91 -9.73 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -74.71 -34.92 62.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' O ' HG12 ' A' ' 83' ' ' VAL . 18.1 mt -67.05 -53.18 33.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.631 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 7.0 pt20 -60.37 -17.87 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -92.75 -43.7 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -63.75 -15.57 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.65 -6.1 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -138.38 36.54 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.0 t -151.73 140.31 20.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -112.45 30.6 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -93.55 -177.71 4.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -82.19 131.97 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.858 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -40.29 -51.84 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.81 -45.52 50.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' SER . 1.7 mm-40 -65.82 -41.69 91.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 93' ' ' LEU . 17.1 mt -57.8 -50.42 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.858 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 22.2 m-85 -53.25 -54.21 39.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.01 -28.03 69.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.46 -5.03 45.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.431 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -153.25 35.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.626 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -87.21 121.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 52' ' ' SER . 54.5 mt -94.3 -20.19 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.7 p -102.95 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.97 6.68 15.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.07 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -123.74 -166.57 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.423 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 97.66 52.25 1.44 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 65.58 154.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -102.98 169.3 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 p -76.11 138.23 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -154.51 177.86 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.65 154.78 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.17 151.81 50.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 120.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.35 143.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -118.06 -59.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 50.39 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.27 119.92 1.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -178.77 143.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.92 151.34 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.32 173.28 18.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.3 mtmt -140.23 94.3 8.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -24.55 12.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.2 mm? -106.59 8.36 31.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -48.66 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' SER . 3.1 t-20 84.57 49.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.407 ' O ' HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -149.66 123.58 9.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.7 mtmt -86.67 126.79 34.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 33' ' ' ILE . 2.8 mp -105.98 144.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.96 HD23 HG23 ' A' ' 41' ' ' THR . 1.4 tm? -117.18 158.18 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 52.5 p -136.99 142.15 42.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -137.68 126.18 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.26 -142.85 16.17 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -127.62 147.66 50.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.65 HD13 ' HG3' ' A' ' 77' ' ' GLU . 10.0 mt -125.08 -179.44 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.3 t -66.99 -41.52 86.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -90.12 178.52 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 79.5 m-20 -96.7 142.82 28.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ASN . 6.1 ttpt -39.98 -38.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -41.29 -39.84 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.902 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.4 t -76.6 -54.44 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -46.23 -24.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLU . . . -84.7 -64.32 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.853 ' SD ' HD13 ' A' ' 80' ' ' LEU . 7.8 ptm -45.84 -42.87 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.902 ' CD1' HG12 ' A' ' 29' ' ' VAL . 85.2 mt -61.87 -33.91 60.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.1 mt-10 -79.67 -34.41 40.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.99 -33.1 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 11' ' ' LEU . 73.1 mt -69.53 -15.0 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' CA ' ' HD2' ' A' ' 9' ' ' LYS . . . 110.75 -9.04 29.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.68 -158.16 33.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -163.27 140.35 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -84.15 135.65 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.96 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -125.03 169.41 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.42 -48.08 1.74 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 m -81.29 149.12 29.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 0.774 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -85.88 -36.8 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -21.04 66.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.66 42.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.85 159.38 40.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 m -100.27 -28.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' H ' ' A' ' 50' ' ' CYS . 15.8 tp -149.33 162.28 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.621 ' H ' HD12 ' A' ' 49' ' ' LEU . 43.4 t -126.15 145.1 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.5 mt -130.23 93.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.662 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -129.07 -171.57 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 22.1 p -111.09 175.16 5.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -54.48 -55.52 28.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.618 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 0.7 OUTLIER -51.83 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG22 HG11 ' A' ' 74' ' ' VAL . 98.8 t -47.29 -32.28 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.21 -35.96 74.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.56 -47.91 76.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 63.67 35.49 11.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.7 t30 -67.39 -166.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -64.27 -57.63 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.731 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -48.51 -27.11 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.618 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 47.1 tpp -95.88 -20.32 18.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 3.1 pt-20 -72.73 -36.85 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.63 -38.51 91.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.868 HG13 ' HB ' ' A' ' 72' ' ' ILE . 57.7 t -67.16 -35.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -70.28 -30.06 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -73.56 -41.69 62.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -88.63 13.86 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' ALA . 7.5 t30 39.55 49.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.868 ' HB ' HG13 ' A' ' 67' ' ' VAL . 81.4 mt -92.48 106.81 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 49' ' ' LEU . 8.2 ptp85 -47.69 130.13 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.542 HG11 HG22 ' A' ' 57' ' ' VAL . 11.0 t -102.01 116.21 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 97' ' ' HIS . 20.9 m -112.21 173.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -97.02 177.85 5.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.65 ' HG3' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -71.92 -11.17 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.33 -14.5 61.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 14.9 t80 -72.6 -44.09 62.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.853 HD13 ' SD ' ' A' ' 32' ' ' MET . 22.2 mt -63.18 -52.21 63.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -53.99 -19.62 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -96.83 -57.07 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG1' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.83 -35.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.494 ' HA ' HD21 ' A' ' 36' ' ' LEU . 1.4 p -79.84 -29.79 40.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -136.11 70.53 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 13.1 t -169.31 143.16 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 87' ' ' THR . 5.4 t -108.05 39.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.74 163.29 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.7 m -77.13 145.8 37.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.699 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.7 mm? -46.34 -58.72 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -40.71 -62.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.81 -52.08 63.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.65 -52.52 17.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.699 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -55.29 -52.77 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 98' ' ' ILE . 8.5 mp -59.32 -45.7 90.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -13.02 46.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.544 ' O ' HG12 ' A' ' 75' ' ' VAL . 68.7 m-70 -140.84 42.42 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -97.4 121.42 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' SER . 45.6 mt -95.36 -27.42 15.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.2 p -98.11 169.54 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.53 -8.92 22.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 13.9 p90 -104.23 -163.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 80.27 60.29 2.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' GLU . . . -85.04 103.95 14.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER 34.3 -150.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 107' ' ' LYS . 10.9 p -170.76 168.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 106' ' ' VAL . 9.4 tptp -128.36 109.12 11.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.2 t -135.16 117.64 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -107.97 -123.03 4.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 143.62 29.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 p -61.67 -63.44 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.07 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -92.98 -61.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m 63.02 165.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.6 147.0 17.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -172.9 131.03 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.16 160.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 179.35 16.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -91.57 90.44 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 5.8 mtmm -121.79 97.7 46.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -33.4 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.621 HD21 HG11 ' A' ' 83' ' ' VAL . 1.3 mm? -96.04 0.94 52.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -45.75 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.1 t-20 83.07 53.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.494 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 89.6 mtp -153.93 124.71 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' C ' HD12 ' A' ' 16' ' ' ILE . 42.5 mtmt -84.96 122.81 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.783 HD13 HG23 ' A' ' 33' ' ' ILE . 2.5 mp -106.28 135.18 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.901 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -108.55 162.17 14.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.72 ' N ' HD13 ' A' ' 17' ' ' LEU . 70.8 p -138.62 148.04 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.768 HD13 ' HE1' ' A' ' 64' ' ' MET . 0.3 OUTLIER -140.52 151.43 44.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.94 -157.29 51.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 119.62 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.42 173.17 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -59.81 -45.48 92.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -84.53 -178.86 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 1.4 p30 -106.37 145.36 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -39.91 -35.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -61.73 -62.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 4.1 mm-40 -46.3 -54.49 8.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.927 HG12 ' CD1' ' A' ' 33' ' ' ILE . 83.9 t -63.05 -41.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 12.9 tttt -58.26 -32.13 68.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.28 -44.83 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.661 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 mmm -60.74 -36.2 78.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.927 ' CD1' HG12 ' A' ' 29' ' ' VAL . 29.8 mt -74.39 -25.34 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.86 -55.73 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -46.59 63.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 32' ' ' MET . 23.7 mt -54.51 -41.79 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.18 -10.82 3.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -84.93 -160.05 31.83 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -160.31 129.0 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.762 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -74.59 137.85 42.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.901 HG23 HD23 ' A' ' 17' ' ' LEU . 4.2 t -127.02 169.32 13.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.2 -44.08 2.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.585 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.7 m -76.03 165.5 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -99.9 -47.15 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -59.92 -35.55 75.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.1 OUTLIER -91.93 37.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.52 155.95 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -103.95 -31.37 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.6 tp -130.61 162.39 29.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.3 t -137.81 123.69 20.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.77 95.12 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 8.8 t -126.84 -171.63 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 57' ' ' VAL . 44.3 p -115.6 158.39 22.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -56.31 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.4 mttp -41.36 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CD ' HD22 ' A' ' 19' ' ' LEU . 1.7 mm-40 -36.72 -65.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 53' ' ' THR . 21.6 t -45.79 -54.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.09 -26.5 27.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmtt -80.24 -29.07 38.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.7 mmt 52.26 33.24 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -59.69 173.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 11.8 mttt -53.84 -51.53 63.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -48.14 -28.45 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.768 ' HE1' HD13 ' A' ' 19' ' ' LEU . 38.1 tpp -95.41 -19.93 19.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 2.7 pt-20 -78.0 -33.7 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.4 mm-40 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -91.08 -26.69 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -71.43 -20.5 62.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 2.0 mm-40 -86.85 -37.81 17.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.71 11.12 13.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t30 44.05 60.09 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.534 ' HB ' HG23 ' A' ' 67' ' ' VAL . 57.8 mt -107.82 108.64 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -52.59 132.49 35.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.5 t -103.37 114.83 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 16.7 m -112.27 172.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HD11 ' A' ' 99' ' ' LEU . 13.6 p -84.29 -173.92 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -46.63 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -41.36 -33.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -45.16 -35.45 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 29' ' ' VAL . 41.1 mt -67.08 -56.83 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -54.2 -19.53 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -93.34 -45.67 7.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -66.09 -16.92 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.544 ' CB ' HD21 ' A' ' 36' ' ' LEU . 1.9 t -106.31 2.25 26.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.77 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 4.9 t -169.87 126.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 p -89.12 42.65 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.66 143.44 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 m -63.55 135.47 56.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.0 mm? -40.22 -62.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.93 -43.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.8 mm-40 -71.05 -54.1 12.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -47.85 -47.32 31.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.8 m-30 -55.06 -54.48 42.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.23 -28.1 68.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.66 -7.21 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 90.8 m-70 -150.57 37.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.64 121.52 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 52' ' ' SER . 95.9 mt -95.88 -27.3 15.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.538 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 76.7 p -96.83 173.66 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 0.11 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 30.0 p90 -113.13 -163.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.019 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . 86.41 56.96 2.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 103' ' ' GLY . . . 70.04 158.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.7 pt-20 -160.74 67.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 p -138.05 158.97 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -90.16 142.75 27.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.53 150.64 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.77 97.1 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.12 10.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.2 t -48.44 138.5 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 162.16 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.92 140.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.72 163.74 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.58 165.88 44.83 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -174.83 146.45 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 0.807 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.7 152.45 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.63 140.52 9.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 57.84 -167.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 8.4 mttt 51.52 92.29 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.595 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.97 -37.02 2.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 83' ' ' VAL . 2.1 mm? -84.34 -22.63 30.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.524 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -31.08 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' SER . 5.5 t-20 83.23 54.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.439 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 50.6 mtp -158.4 128.3 5.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.26 19.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.723 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.1 mp -95.55 139.96 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -122.1 151.56 40.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.872 HG21 HG11 ' A' ' 29' ' ' VAL . 41.4 p -124.98 141.26 52.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' C ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -126.05 165.68 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.76 ' H ' HD23 ' A' ' 19' ' ' LEU . . . 54.14 -158.56 5.36 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.35 124.56 51.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.99 172.17 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -43.32 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.39 176.6 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.429 ' OD1' ' CG ' ' A' ' 28' ' ' GLU . 2.3 p30 -105.77 152.83 22.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -40.63 -47.32 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -52.97 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 25' ' ' ASN . 3.6 mm-40 -45.0 -55.82 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 18' ' ' THR . 90.4 t -59.97 -39.89 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LYS . 11.1 tttt -62.63 -35.6 80.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.63 -43.36 63.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -57.71 -67.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.677 HG23 HD13 ' A' ' 16' ' ' ILE . 20.1 mt -45.71 -30.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.15 -39.89 39.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.832 ' HD2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -61.24 -49.51 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.832 HD22 ' HD2' ' A' ' 35' ' ' LYS . 2.2 mm? -55.14 -39.79 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.88 -8.23 4.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.81 -162.14 33.2 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -154.98 131.57 10.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -75.03 140.55 43.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -123.96 169.8 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -102.83 -46.59 1.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.419 1.074 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -77.82 142.46 38.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -82.87 -38.65 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -63.12 -18.59 63.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.26 44.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.35 160.28 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.3 m -111.49 -29.37 7.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.5 tp -130.91 160.97 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 67' ' ' VAL . 37.1 t -143.11 118.12 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 75' ' ' VAL . 62.6 mt -103.49 94.76 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.793 ' O ' HD12 ' A' ' 99' ' ' LEU . 8.3 t -125.5 -172.16 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.1 p -112.97 156.69 22.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -55.17 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' GLU . 14.1 mttt -45.32 -65.78 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -37.4 -66.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.3 t -47.36 -41.88 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' LYS . 5.1 mt-10 -68.03 -27.79 66.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.2 mmmm -71.11 -34.88 71.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.485 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.3 mmt 57.82 20.32 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 64' ' ' MET . 47.6 p-10 -58.41 167.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -43.26 -56.39 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.761 ' C ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -43.15 -40.98 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.499 ' HE2' HD13 ' A' ' 19' ' ' LEU . 37.5 tpp -82.54 -26.75 32.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -67.5 -37.29 82.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 17.6 mm-40 -64.31 -30.36 71.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HB ' ' A' ' 72' ' ' ILE . 84.0 t -82.79 -30.93 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -70.21 -50.97 34.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 6.4 pt-20 -53.08 -45.97 68.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -82.43 7.24 14.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 103' ' ' GLY . 4.0 t30 39.08 69.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.821 ' HB ' HG13 ' A' ' 67' ' ' VAL . 50.5 mt -112.83 115.03 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -51.63 125.67 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 HG22 HG11 ' A' ' 67' ' ' VAL . 16.5 t -97.71 131.77 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 32.6 m -125.77 177.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 t -97.44 179.54 4.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -20.08 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -21.39 66.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.413 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 20.8 t80 -60.2 -46.91 88.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.65 -40.81 96.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.5 tp60 -65.86 -18.42 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.41 -51.43 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -51.03 -34.32 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -86.35 -23.77 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -134.15 64.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -179.56 116.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 87' ' ' THR . 10.7 t -89.89 43.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -103.04 157.85 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.2 m -64.39 132.73 50.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 94' ' ' PHE . 3.3 mm? -39.85 -58.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -39.59 -60.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -54.17 -48.27 71.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' LEU . 22.5 mt -52.32 -49.89 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 90' ' ' LEU . 20.0 m-30 -56.13 -53.49 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 98' ' ' ILE . 9.2 mp -59.5 -44.57 93.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.21 54.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 86.1 m-70 -142.14 43.38 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -96.81 122.0 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 52' ' ' SER . 35.1 mt -97.57 -18.29 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.8 p -109.37 171.76 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.93 -11.03 16.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -100.26 -166.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.428 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 107.02 -80.91 0.28 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.25 156.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -44.13 129.29 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.9 p -171.13 126.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.84 99.0 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -141.26 95.09 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.53 87.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.76 2.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.41 82.89 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.59 -58.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -177.64 124.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -173.75 115.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.3 -118.84 2.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -173.96 129.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -167.53 154.26 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.04 67.18 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.16 100.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -134.64 81.06 48.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.987 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.3 Cg_endo -74.94 -16.85 20.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD21 ' HZ ' ' A' ' 79' ' ' PHE . 24.4 mt -107.37 -15.66 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -33.73 105.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 86.71 54.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 56.6 mtp -157.93 144.52 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -104.58 109.27 21.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.891 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -95.24 136.09 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.0 OUTLIER -122.69 148.32 45.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -121.92 149.08 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.469 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -140.18 135.15 32.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -148.8 29.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 128.39 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.53 165.9 10.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.23 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -89.34 174.11 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.09 149.56 23.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.78 -51.49 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -54.01 -62.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -40.99 -40.07 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -76.1 -54.14 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -47.38 -32.65 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.1 -54.14 8.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.2 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.959 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.6 mt -59.97 -34.97 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.96 -45.87 19.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -31.33 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD12 HD22 ' A' ' 80' ' ' LEU . 37.1 mt -81.63 5.13 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.38 -9.31 64.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -74.99 -177.08 39.06 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.98 133.94 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.759 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.959 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -86.78 137.4 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.493 ' O ' HD12 ' A' ' 17' ' ' LEU . 5.3 t -128.48 167.64 16.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -96.83 -41.47 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' HD13 ' A' ' 17' ' ' LEU . 95.0 m -78.37 148.17 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -91.96 -41.93 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.96 -12.69 39.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -117.86 41.37 2.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.85 159.33 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -101.68 -30.2 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 75' ' ' VAL . 12.5 tp -145.98 159.61 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.648 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -130.06 147.06 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 47.5 mt -127.64 98.75 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.787 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.4 t -133.29 -172.67 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -103.85 -176.51 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -34.36 49.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' LYS . 14.4 tttt -59.2 -57.26 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.596 ' OE1' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -49.37 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -48.66 -35.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -76.17 -26.16 55.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -78.53 -38.98 39.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.3 mmt 59.47 56.18 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -81.53 168.59 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -49.51 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.899 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.4 mttm -52.92 -48.99 66.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 52.7 tpp -67.11 -30.18 70.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.69 84.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.9 mm-40 -53.84 -37.83 64.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.745 HG13 ' HB ' ' A' ' 72' ' ' ILE . 35.2 t -69.61 -39.39 78.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE3' ' A' ' 60' ' ' MET . 38.3 tttm -65.83 -42.03 91.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.73 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.37 8.34 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 25.9 t30 40.4 58.0 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.745 ' HB ' HG13 ' A' ' 67' ' ' VAL . 69.8 mt -100.9 113.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -51.54 121.02 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.511 HG22 HG11 ' A' ' 67' ' ' VAL . 3.5 t -94.62 114.46 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HA ' ' A' ' 94' ' ' PHE . 27.6 m -115.88 170.87 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.2 178.1 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 4.3 tt0 -85.97 -7.02 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.33 -29.84 64.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -49.38 -32.05 10.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 36' ' ' LEU . 78.7 mt -67.53 -47.96 68.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -61.3 -37.47 83.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.77 ' HB3' HD11 ' A' ' 93' ' ' LEU . 1.7 m-20 -78.82 -66.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 79' ' ' PHE . 7.2 p -40.26 -38.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 36' ' ' LEU . 10.2 t -75.48 -41.92 54.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -133.07 71.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' ASP . 46.9 t -149.77 144.43 26.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.4 p -91.11 30.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.43 143.42 50.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.4 m -69.05 159.47 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.987 HD11 ' CB ' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -49.87 -48.74 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -46.98 -33.05 4.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.56 -64.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 82' ' ' ASP . 3.8 mm? -44.33 -55.57 4.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.785 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.3 m-30 -43.25 -29.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.56 -38.16 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.67 2.19 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.578 ' HD2' HD12 ' A' ' 93' ' ' LEU . 78.5 m-70 -148.55 29.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -78.66 124.0 36.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 52' ' ' SER . 17.6 mt -103.31 -13.76 16.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -114.77 172.38 7.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.23 3.25 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 71' ' ' ASN . 10.5 p90 -121.73 -168.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.616 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . 96.07 42.57 3.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 103' ' ' GLY . . . 77.84 155.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.37 125.77 20.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 5.2 p -158.4 140.48 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -174.63 98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.04 90.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.75 107.08 0.92 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.96 14.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.2 p -150.4 129.1 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 42.37 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -168.05 161.92 12.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 0.811 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 136.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.92 -179.04 19.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 61.42 125.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -158.86 134.86 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.16 178.29 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 65.49 -175.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' LEU . 11.6 mttt 54.58 95.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' CB ' HD11 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -74.96 -27.29 10.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.29 0.32 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -46.69 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' SER . 10.1 t-20 85.27 54.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -158.71 132.83 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.724 ' C ' HD12 ' A' ' 16' ' ' ILE . 16.3 mtmt -90.6 129.84 36.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.0 mp -115.77 142.12 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 50' ' ' CYS . 0.9 OUTLIER -118.74 151.44 38.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.3 p -123.98 142.31 51.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.773 HD21 ' CB ' ' A' ' 63' ' ' LYS . 1.2 mt -134.89 134.16 40.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.56 -175.04 53.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.39 129.78 38.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.71 170.81 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -47.17 65.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -91.93 177.69 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.2 m-20 -94.71 150.6 20.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 4.7 tptt -39.84 -64.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.19 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.95 -39.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 33' ' ' ILE . 86.3 t -77.87 -52.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -48.0 -31.04 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.66 -52.26 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.582 ' HE3' HD11 ' A' ' 36' ' ' LEU . 2.1 mmm -54.0 -50.08 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.723 ' CG2' HD13 ' A' ' 16' ' ' ILE . 40.7 mt -59.41 -26.44 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.29 -56.93 3.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -49.07 51.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' HE3' ' A' ' 32' ' ' MET . 15.7 mt -52.11 -43.02 63.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.54 -11.53 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -83.0 -162.09 31.83 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -158.13 132.71 8.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -76.9 137.76 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HD12 ' A' ' 17' ' ' LEU . 7.0 t -127.61 163.99 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 17' ' ' LEU . . . -99.3 -37.62 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 17' ' ' LEU . 85.2 m -85.49 145.01 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -83.76 -53.17 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -21.79 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -112.83 46.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.72 160.11 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -109.55 -30.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 49' ' ' LEU . 7.0 tp -132.75 157.78 44.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 17' ' ' LEU . 5.8 t -136.91 115.6 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 mt -102.69 94.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.1 t -124.72 -172.12 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.3 p -116.09 153.93 30.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -44.34 -57.33 3.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -40.56 -66.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -40.22 -61.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' THR . 11.5 t -49.44 -37.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.5 mm-40 -71.83 -27.39 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -78.4 -36.11 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.5 mmt 57.36 54.6 6.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -74.77 168.87 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.4 -43.16 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.773 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.9 mmtp -56.74 -51.85 67.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 47.8 tpp -68.24 -15.79 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 mt-10 -80.08 -35.29 37.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.7 mm-40 -65.54 -23.19 66.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -94.44 -29.19 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -66.18 -23.2 66.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 3.4 mt-10 -84.49 -44.17 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.29 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 102' ' ' TRP . 0.8 OUTLIER 48.33 67.58 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ARG . 18.5 mt -100.96 98.57 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.572 ' HD3' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -34.39 109.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.516 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 12.6 t -87.44 115.08 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 25.8 m -118.55 173.01 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.76 -177.14 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -31.62 40.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.69 -22.66 9.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' HE1' ' A' ' 94' ' ' PHE . 8.3 t80 -59.21 -46.33 88.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HA ' HG12 ' A' ' 83' ' ' VAL . 33.7 mt -57.54 -44.43 85.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.84 -31.74 68.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.654 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.1 -55.55 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG22 ' CG ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -54.45 -22.96 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.461 ' CB ' HD21 ' A' ' 36' ' ' LEU . 22.6 t -93.85 -26.45 16.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.44 70.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 7.3 t -163.97 126.25 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -89.58 39.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.57 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.2 m -64.01 142.42 58.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.815 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -50.74 -48.84 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.713 ' OE1' HD12 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -52.36 -40.14 61.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.16 -61.24 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 82' ' ' ASP . 93.6 mt -43.01 -46.55 5.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.815 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 12.0 m-30 -54.39 -54.9 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 ' OE1' ' A' ' 91' ' ' GLN . 1.2 mt -67.75 -28.39 67.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.56 1.11 47.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 95.8 m-70 -151.91 36.23 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.667 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.572 HD12 ' HD3' ' A' ' 73' ' ' ARG . 1.1 tp -89.92 127.65 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 52' ' ' SER . 22.1 mt -104.34 -17.92 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 98' ' ' ILE . 20.0 p -114.23 170.79 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -28.61 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 29.1 p90 -81.8 -168.91 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 73' ' ' ARG . . . 103.88 67.96 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.4 134.95 16.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 42.06 90.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 m -90.33 19.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.4 tttm 57.74 61.81 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.99 134.66 52.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.71 -85.74 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.02 42.33 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.2 p -166.9 -61.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -54.73 -56.93 14.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -170.54 144.88 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.4 168.21 18.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.33 173.54 21.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -134.19 171.68 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.06 169.27 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.19 -167.48 22.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.52 96.55 8.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 10.5 mtmt -135.42 81.38 43.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -18.0 18.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -110.42 -0.9 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -44.41 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.3 t-20 88.81 52.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 62.1 mtp -155.23 124.71 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 16' ' ' ILE . 18.6 mtmt -85.83 117.37 24.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.6 mp -100.52 138.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -112.56 160.55 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.679 ' N ' HD13 ' A' ' 17' ' ' LEU . 80.7 p -141.42 152.16 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.848 HD21 ' CB ' ' A' ' 63' ' ' LYS . 3.6 mt -136.53 175.11 9.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.19 -108.54 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.99 134.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.782 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -97.79 -166.28 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -19.88 60.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -102.8 -178.21 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.36 152.32 20.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -45.4 -44.39 11.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.18 -64.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -40.07 -36.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 33' ' ' ILE . 78.8 t -80.16 -54.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HB2' HD13 ' A' ' 40' ' ' LEU . 18.6 tttm -47.73 -34.69 8.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.32 -48.64 60.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 84' ' ' SER . 0.4 OUTLIER -58.57 -53.51 57.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 29' ' ' VAL . 10.1 mt -53.48 -31.85 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.26 -44.82 19.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.68 69.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CB ' HD23 ' A' ' 11' ' ' LEU . 37.6 mt -82.01 4.67 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -14.61 62.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -76.9 -161.64 13.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -162.77 127.53 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 30' ' ' LYS . 6.6 tt -74.36 149.21 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.905 HG23 HD23 ' A' ' 17' ' ' LEU . 5.8 t -138.72 166.73 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.73 -44.08 3.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.582 HG21 ' HD3' ' A' ' 46' ' ' LYS . 2.4 m -77.96 166.0 23.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.371 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -101.33 -49.07 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -57.32 -34.34 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD3' HG21 ' A' ' 43' ' ' THR . 0.2 OUTLIER -91.73 37.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . -133.71 163.65 28.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -109.11 -24.38 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 50' ' ' CYS . 12.0 tp -147.85 160.85 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.647 ' H ' HD12 ' A' ' 49' ' ' LEU . 20.8 t -126.07 146.08 50.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.5 HD12 HG21 ' A' ' 16' ' ' ILE . 65.9 mt -133.55 94.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 1.4 t -130.08 -171.45 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.2 p -113.44 169.44 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -54.93 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -45.91 -51.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.1 OUTLIER -53.5 -66.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.442 HG22 HG11 ' A' ' 74' ' ' VAL . 98.1 t -46.22 -27.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.68 -39.58 57.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -59.43 -50.0 75.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.474 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.7 mmt 62.76 37.73 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -63.73 -170.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -41.76 98.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.848 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -56.41 -61.26 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 40.0 tpp -59.52 -17.86 35.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 mm-40 -79.94 -30.47 39.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 2.2 mm-40 -69.14 -23.46 63.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -26.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 34.7 tttm -72.06 -20.55 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mm-40 -84.63 -43.42 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.95 -2.41 57.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.85 63.13 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 44' ' ' ALA . 24.2 mt -103.54 104.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.634 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -41.71 133.74 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG21 ' CZ2' ' A' ' 102' ' ' TRP . 4.3 t -107.29 117.22 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 98' ' ' ILE . 33.0 m -118.88 171.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.73 172.03 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 22' ' ' LEU . 1.6 tm-20 -66.48 -26.81 67.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.39 -31.45 61.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -45.05 -51.54 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 83' ' ' VAL . 16.4 mt -58.49 -41.86 86.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -62.36 -19.89 63.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -97.68 -53.26 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -54.23 -30.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.44 ' CB ' HD21 ' A' ' 36' ' ' LEU . 5.2 t -86.66 -25.13 25.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.3 64.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.1 t -177.2 120.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 87' ' ' THR . 4.0 t -89.66 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.58 158.53 16.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' GLU . 1.0 OUTLIER -70.06 133.26 47.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . 2.3 mm? -40.38 -59.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -39.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.8 mm-40 -75.42 -49.83 17.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 83' ' ' VAL . 30.4 mt -52.2 -50.41 61.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.634 ' CD2' ' NH1' ' A' ' 73' ' ' ARG . 20.8 m-85 -52.98 -54.65 31.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -27.47 68.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.95 -8.92 58.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -150.07 37.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.619 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -87.47 121.84 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 52' ' ' SER . 54.4 mt -95.39 -27.06 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.6 p -99.95 167.0 10.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.49 -17.43 20.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CZ2' HG21 ' A' ' 74' ' ' VAL . 12.5 p90 -91.95 -164.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 90.84 58.81 1.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.82 139.17 39.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.52 126.85 8.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -170.6 35.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.36 125.79 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.87 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -175.7 -87.8 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.76 8.11 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -82.56 142.3 31.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -64.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -143.67 123.45 13.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.99 136.0 45.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.27 168.95 22.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 60.49 76.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p 178.22 146.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.88 82.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -145.61 73.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.535 ' HG2' ' CA ' ' A' ' 37' ' ' GLY . 9.8 mtpt -133.08 101.79 13.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 -30.05 7.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.638 HD23 ' CB ' ' A' ' 36' ' ' LEU . 2.0 mm? -101.44 18.08 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.529 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -61.65 107.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.021 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 12' ' ' SER . 16.6 t30 83.58 54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.409 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -163.81 127.74 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.2 mttp -88.76 128.19 35.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.782 HD13 HG23 ' A' ' 33' ' ' ILE . 1.8 mp -108.46 139.37 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.849 HD23 HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -107.12 160.87 15.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.673 ' N ' HD13 ' A' ' 17' ' ' LEU . 82.2 p -142.45 145.25 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.31 175.42 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.38 -110.67 0.32 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.71 135.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.765 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -95.96 -166.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -22.44 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -97.24 177.37 5.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -93.62 148.81 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -50.69 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -64.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.1 -40.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -76.65 -55.06 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -46.7 -34.45 5.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . -67.98 -53.9 22.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.504 ' O ' HD22 ' A' ' 36' ' ' LEU . 17.0 mmm -52.18 -61.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.782 HG23 HD13 ' A' ' 16' ' ' ILE . 79.1 mt -47.18 -37.33 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.83 -29.9 56.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -76.87 -42.56 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.638 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.9 mm? -60.72 -16.04 35.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' CA ' ' HG2' ' A' ' 9' ' ' LYS . . . 112.37 -8.34 26.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.14 -157.46 29.56 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' GLY . 10.6 mttt -161.99 132.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.31 132.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.849 HG23 HD23 ' A' ' 17' ' ' LEU . 5.4 t -123.18 167.34 13.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 -44.7 2.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.0 m -77.73 148.75 34.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . . . -90.42 -38.72 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 1.3 m-20 -66.22 -18.1 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -111.96 39.55 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.3 159.03 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -105.8 -28.42 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 49' ' ' LEU . 6.9 tp -132.02 160.13 36.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.0 t -134.99 119.6 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.9 mt -109.37 95.78 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 99' ' ' LEU . 2.2 t -130.17 -172.0 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.5 p -111.06 156.49 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -56.23 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -44.43 -51.11 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -52.51 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 102' ' ' TRP . 57.1 t -46.23 -27.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.86 -37.5 34.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -56.55 -52.32 65.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt 61.62 43.69 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.99 -173.11 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -51.29 63.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -60.18 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -49.96 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 3.0 mm-40 -48.67 -36.89 17.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.622 HG13 ' HB ' ' A' ' 72' ' ' ILE . 24.9 t -71.48 -49.06 49.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -60.47 -34.9 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.34 -44.97 86.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -86.71 11.23 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 12.3 t30 39.16 61.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 ' HB ' HG13 ' A' ' 67' ' ' VAL . 49.9 mt -105.09 118.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 7.9 ptp85 -55.35 121.33 8.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.499 HG22 HG11 ' A' ' 67' ' ' VAL . 20.8 t -93.12 128.77 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 29.0 m -125.1 171.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p -90.8 168.0 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.52 -22.75 66.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 5.8 m-20 -57.81 -46.37 84.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.15 -39.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.2 -50.93 66.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . 4.7 tp60 -58.49 -25.88 62.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -86.95 -56.42 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.51 -36.84 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -78.05 -33.03 51.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.0 67.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 5.9 t -175.24 125.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -95.23 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -108.01 150.33 27.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -64.18 135.62 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.972 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mm? -39.98 -62.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.478 ' O ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -38.25 -54.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -56.09 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HB3' ' A' ' 82' ' ' ASP . 12.7 mt -43.26 -48.17 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 90' ' ' LEU . 19.8 m-30 -55.12 -55.16 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 91' ' ' GLN . 1.5 mm? -57.82 -29.26 64.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.11 -20.08 57.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 67.7 m-70 -140.46 47.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -96.38 121.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 52' ' ' SER . 35.7 mt -96.63 -24.17 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.497 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.3 p -104.93 166.44 10.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.38 1.75 33.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.1 p90 -111.94 -164.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 107.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 93.97 63.26 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -138.33 -172.83 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.86 132.89 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG22 ' H ' ' A' ' 107' ' ' LYS . 2.4 p -172.72 171.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 106' ' ' VAL . 6.7 tmtm? -73.73 89.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.7 p -178.81 -175.79 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.35 88.53 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.37 18.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.9 m 43.06 86.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.8 p -141.26 79.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -74.38 157.76 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.21 123.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.54 171.87 31.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -178.06 163.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.01 168.49 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.06 74.2 2.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -160.59 176.45 11.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 2.6 mtmp? 64.8 85.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.5 Cg_endo -74.94 -32.97 5.03 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' MET . 46.3 mt -85.7 -14.9 44.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.612 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -39.72 96.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 12' ' ' SER . 8.1 t-20 93.37 48.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -159.52 131.03 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.617 ' C ' HD12 ' A' ' 16' ' ' ILE . 28.9 mttt -91.93 129.97 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.769 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.6 mp -113.55 127.28 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.93 HD23 HG23 ' A' ' 41' ' ' THR . 1.1 tm? -103.31 160.7 14.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.722 ' N ' HD13 ' A' ' 17' ' ' LEU . 74.9 p -138.81 148.71 44.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.924 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -132.34 175.45 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.32 -134.08 1.75 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 139.35 40.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 mt -107.92 174.95 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -85.28 172.57 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -86.86 147.49 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -50.12 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -63.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -39.18 -42.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.0 t -74.81 -56.14 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -43.63 -33.87 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.73 -48.7 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.88 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.952 ' CD1' HD12 ' A' ' 40' ' ' LEU . 63.4 mt -70.64 -29.16 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -82.67 -48.95 10.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -35.62 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.3 mt -72.61 -3.47 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.32 -9.56 71.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -77.73 -167.56 29.74 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.9 mtmt -155.18 123.34 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -74.64 139.62 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 HD23 ' A' ' 17' ' ' LEU . 5.3 t -123.02 169.94 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.11 -47.75 2.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.4 m -79.96 160.53 25.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.382 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' HG12 ' A' ' 67' ' ' VAL . . . -93.34 -43.67 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -14.91 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 42.34 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -136.75 152.96 50.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -94.05 -32.91 13.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.542 HD11 HG22 ' A' ' 75' ' ' VAL . 5.7 tp -143.99 154.5 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.3 t -115.79 136.48 53.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.6 mt -122.62 95.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 99' ' ' LEU . 1.4 t -133.73 -171.63 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.7 p -106.83 165.32 11.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.468 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -55.09 -55.12 34.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 6.7 tptm -39.48 -66.63 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.4 tm-20 -39.46 -62.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' THR . 12.2 t -49.11 -38.39 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.8 mt-10 -72.67 -25.43 61.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -83.37 -37.38 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.498 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 2.5 mmt 58.78 56.47 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -72.84 172.39 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -49.47 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.924 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.28 -49.38 67.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.498 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 48.7 tpp -72.19 -15.04 61.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 2.4 mt-10 -84.12 -12.57 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.45 -31.1 18.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG12 ' HB1' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -79.98 -31.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -65.36 -27.89 68.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 0.8 OUTLIER -78.65 -39.16 37.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 8.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 2.7 t30 48.07 49.82 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -95.78 109.37 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.59 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.0 ptp180 -54.54 124.96 17.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.419 HG22 HG21 ' A' ' 67' ' ' VAL . 3.9 t -92.52 115.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 49' ' ' LEU . 15.1 m -116.86 172.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -91.71 -173.86 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -78.61 -29.22 45.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -46.93 -44.13 19.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 6.0 t80 -43.98 -36.86 2.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.654 ' HA ' HG12 ' A' ' 83' ' ' VAL . 49.8 mt -67.46 -44.41 78.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.5 tp60 -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -89.23 -58.06 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 80' ' ' LEU . 5.5 p -49.86 -27.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.407 ' CB ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -90.16 -35.38 15.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.04 64.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 29.7 t -140.19 159.23 42.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.9 p -119.64 15.84 12.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -114.5 -170.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.3 m -98.44 148.47 23.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -39.93 -50.17 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.77 -39.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.9 mm-40 -69.27 -68.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -38.41 -53.67 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 9.4 m-85 -47.66 -56.77 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 98' ' ' ILE . 2.1 mt -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -78.21 1.71 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 79.7 m-70 -150.39 29.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -83.58 122.69 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 52' ' ' SER . 33.8 mt -99.85 -22.56 15.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.44 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 58.0 p -106.9 174.09 6.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.93 -12.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 13.3 p90 -101.99 -165.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.13 57.35 1.91 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -105.75 115.78 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.79 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.99 163.07 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 106' ' ' VAL . 92.2 t -146.23 66.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.47 174.49 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 107.79 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.28 166.31 11.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -39.34 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t 66.66 81.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.85 80.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -143.84 158.37 43.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -109.6 -62.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.97 164.27 39.07 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.24 171.35 9.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.966 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -169.46 150.53 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.11 178.91 24.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.34 100.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 9.1 mtmt -135.63 81.66 41.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' CG ' HG22 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.02 -16.98 19.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 48.6 mt -104.75 -19.0 14.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -34.61 106.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 12' ' ' SER . 4.8 t30 83.85 54.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 51.4 mtp -159.24 125.78 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' C ' HD12 ' A' ' 16' ' ' ILE . 35.2 mtmt -88.81 110.52 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp -95.91 138.41 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.927 HD13 ' N ' ' A' ' 18' ' ' THR . 2.5 tm? -115.22 159.18 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.927 ' N ' HD13 ' A' ' 17' ' ' LEU . 13.9 p -132.62 126.85 33.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -113.11 117.44 31.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -112.72 4.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -176.7 138.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.809 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -99.71 -171.91 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -18.35 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -103.28 -177.46 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -98.56 151.21 20.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -50.25 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.72 -65.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.1 -37.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 33' ' ' ILE . 88.4 t -78.76 -55.05 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.4 ttmt -48.71 -31.67 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.09 -51.57 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -54.73 38.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.673 ' CD1' HD12 ' A' ' 40' ' ' LEU . 14.2 mt -52.04 -32.1 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.63 -50.21 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.14 63.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HB2' HD12 ' A' ' 11' ' ' LEU . 42.9 mt -81.65 4.68 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.83 -16.55 56.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' ILE . . . -71.48 -163.63 5.85 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.23 131.12 5.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD12 ' CD1' ' A' ' 33' ' ' ILE . 5.9 tt -80.87 153.97 27.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.874 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 t -138.26 168.11 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.4 -40.39 3.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -83.37 163.41 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -99.12 -54.73 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 11.2 t30 -51.83 -28.95 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -99.3 41.38 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -139.74 150.98 45.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 m -97.93 -22.48 16.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mt -136.58 168.59 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.46 124.94 13.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HG22 ' A' ' 18' ' ' THR . 34.1 mt -111.42 95.66 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.696 ' O ' HD12 ' A' ' 99' ' ' LEU . 5.5 t -128.13 -171.63 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 99' ' ' LEU . 27.8 p -114.33 173.13 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -62.81 -43.56 98.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -53.67 42.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -51.3 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.35 -22.51 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.47 -31.02 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -73.05 -37.05 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.475 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 mmt 54.08 53.09 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 22.3 t30 -86.61 165.46 16.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -39.65 -39.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.894 ' CB ' HD21 ' A' ' 19' ' ' LEU . 1.1 mmmt -55.02 -62.36 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 31.7 tpp -57.87 -21.81 44.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.72 -28.31 58.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.1 mm-40 -70.81 -25.16 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -96.8 -27.4 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -74.77 -19.99 59.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 70' ' ' ALA . 7.8 pt-20 -81.7 -45.99 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' ' 69' ' ' GLU . . . -85.13 10.68 11.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 17.8 t30 44.2 65.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 28.7 mt -108.43 101.57 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' CA ' ' HA3' ' A' ' 103' ' ' GLY . 8.6 ptp85 -42.5 127.69 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.621 HG22 HG21 ' A' ' 67' ' ' VAL . 4.5 t -101.33 126.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 97' ' ' HIS . 33.4 m -123.87 174.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.53 175.5 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -68.38 -31.7 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.5 m-20 -50.74 -40.13 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' ASP . 15.4 t80 -37.01 -54.06 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' HA ' HG12 ' A' ' 83' ' ' VAL . 14.6 mt -55.2 -48.13 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -57.76 -21.19 40.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -94.08 -58.22 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -48.04 -36.44 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.06 -32.57 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' ASP . . . -131.49 69.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.0 OUTLIER -178.92 115.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.627 ' O ' HG23 ' A' ' 87' ' ' THR . 11.1 t -87.71 46.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.39 161.72 13.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -63.55 137.59 58.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.63 HD23 ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -48.4 -56.64 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 7.0 mp0 -50.44 -49.33 55.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.32 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 93' ' ' LEU . 24.0 mt -47.09 -48.94 22.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 20.5 m-30 -55.38 -53.15 59.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.12 -34.25 74.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.77 -8.31 54.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 85.9 m-70 -150.05 40.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -92.59 122.34 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 52' ' ' SER . 80.3 mt -97.6 -18.1 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 165.29 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -4.45 29.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 27.6 p90 -104.16 -163.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 88.78 59.4 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . 61.13 156.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.86 149.59 24.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 83.3 t -66.94 125.84 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.49 70.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.73 -59.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 77.12 149.77 3.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 79.14 2.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -69.07 142.31 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -159.17 -61.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 147.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -95.53 146.18 24.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.69 144.45 4.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -146.0 139.65 26.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.955 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.8 158.2 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 63.85 0.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -165.44 86.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 11.0 mtmt -137.03 82.47 30.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' CB ' HG22 ' A' ' 83' ' ' VAL . 18.0 Cg_endo -75.02 -20.95 16.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' LEU . 1.8 mm? -109.16 2.32 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -45.23 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' SER . 7.2 t30 87.32 54.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 16' ' ' ILE . 38.3 mtp -154.42 129.03 9.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 22.1 mtpt -88.11 111.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.883 HD13 HG23 ' A' ' 33' ' ' ILE . 4.1 mp -97.01 134.43 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.883 HD23 HG23 ' A' ' 41' ' ' THR . 1.6 tm? -113.9 158.85 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.802 ' N ' HD13 ' A' ' 17' ' ' LEU . 63.0 p -138.25 134.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.928 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 -98.41 1.09 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' HD22 ' A' ' 22' ' ' LEU . 1.4 ttpm? 176.99 139.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -91.88 -164.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -74.62 -26.34 59.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -97.52 -178.36 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -92.34 148.39 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -41.23 -60.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.39 -64.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.98 -44.24 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 33' ' ' ILE . 59.6 t -73.16 -56.33 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -43.76 -34.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.95 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.404 ' HE1' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -53.15 -50.3 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 HD13 ' A' ' 16' ' ' ILE . 74.6 mt -55.37 -34.71 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.96 -46.53 18.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -29.68 70.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HB3' HD23 ' A' ' 11' ' ' LEU . 54.1 mt -79.77 1.69 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 -14.63 64.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -75.13 -165.4 14.97 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 33' ' ' ILE . 1.7 mmtp -158.8 123.93 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.79 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.28 137.98 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.883 HG23 HD23 ' A' ' 17' ' ' LEU . 3.6 t -125.89 169.78 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.76 -46.63 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 44' ' ' ALA . 52.8 m -73.33 169.18 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 43' ' ' THR . . . -107.62 -48.8 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -61.93 -14.48 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -111.17 37.98 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 17' ' ' LEU . . . -132.06 153.1 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -91.4 -31.48 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 50' ' ' CYS . 17.8 tp -145.3 161.33 39.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' H ' HD12 ' A' ' 49' ' ' LEU . 53.3 t -122.88 139.9 53.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 16' ' ' ILE . 63.5 mt -129.26 93.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.797 ' O ' HD12 ' A' ' 99' ' ' LEU . 3.5 t -127.87 -171.51 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' HA ' ' CD1' ' A' ' 99' ' ' LEU . 32.5 p -111.79 159.08 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' N ' HD13 ' A' ' 99' ' ' LEU . 6.9 tppt? -45.7 -58.27 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 -62.62 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HB3' ' HE3' ' A' ' 64' ' ' MET . 1.6 mm-40 -42.43 -66.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 60' ' ' MET . 64.6 t -44.69 -44.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.83 -38.05 74.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -64.47 -48.1 76.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.491 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.2 mmt 64.77 35.28 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.11 -176.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.7 -45.86 88.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.928 ' CB ' HD21 ' A' ' 19' ' ' LEU . 6.1 mttt -53.95 -31.07 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.777 ' SD ' HD13 ' A' ' 19' ' ' LEU . 32.1 tpp -92.3 -12.18 33.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.9 pt-20 -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.82 -26.25 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -27.57 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 28.4 tttm -70.66 -20.47 62.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 65' ' ' GLU . 1.6 mm-40 -87.83 -37.76 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.65 8.73 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 46.26 52.48 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.95 114.17 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -58.28 133.48 55.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.0 t -102.51 123.12 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 51' ' ' ILE . 22.9 m -119.4 173.26 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.93 174.13 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.844 ' HB2' HD12 ' A' ' 22' ' ' LEU . 3.3 tm-20 -61.82 -39.87 93.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLN . 2.3 m-20 -41.35 -41.9 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -38.07 -48.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 36' ' ' LEU . 19.3 mt -63.56 -46.1 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASP . 2.8 tp60 -58.8 -31.01 68.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.536 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -85.43 -60.52 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG22 ' CB ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -44.94 -33.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.404 ' CB ' ' HE1' ' A' ' 32' ' ' MET . 6.7 p -80.67 -38.58 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 82' ' ' ASP . . . -131.44 70.56 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ASP . 1.5 t -170.52 121.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 46.0 p -87.15 43.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -110.17 143.33 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 92' ' ' GLU . 2.5 m -65.16 142.46 58.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.667 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 2.9 mm? -42.25 -60.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -43.18 -38.06 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' SER . 4.2 mm-40 -77.46 -51.05 11.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 82' ' ' ASP . 22.8 mt -51.04 -49.31 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' CZ ' HD12 ' A' ' 90' ' ' LEU . 20.3 m-85 -53.08 -54.3 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.37 -28.99 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 92' ' ' GLU . . . -77.2 -4.66 45.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 91.5 m-70 -152.05 35.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.589 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -85.96 121.36 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 52' ' ' SER . 28.1 mt -95.08 -26.46 16.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 102' ' ' TRP . 78.1 p -98.91 170.87 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.7 2.51 28.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 100' ' ' SER . 16.4 p90 -115.15 -166.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 85.79 66.48 1.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.12 123.63 49.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -168.49 150.48 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 106' ' ' VAL . 9.2 p -116.81 59.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -128.69 64.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.56 99.78 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.02 83.96 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.96 13.62 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.5 p -156.05 167.4 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.3 m -163.09 115.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.61 119.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -173.06 158.94 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.75 -150.17 19.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.95 120.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -172.1 148.68 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.51 110.07 0.34 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 44.39 86.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 12' ' ' SER . 1.5 mtmt -129.21 99.55 21.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.721 ' HG2' HD22 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.02 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD23 HD13 ' A' ' 36' ' ' LEU . 2.5 mm? -91.36 6.62 44.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.538 ' HB2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -47.73 100.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 12' ' ' SER . 9.1 t-20 82.28 54.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -154.41 131.21 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.752 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.3 mttt -89.39 127.73 35.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.806 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -115.91 136.79 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.75 HD23 ' SG ' ' A' ' 50' ' ' CYS . 1.2 tp -115.86 151.61 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 40.9 p -122.94 140.61 52.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -129.25 131.78 47.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -166.1 51.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -99.66 133.07 44.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.07 165.98 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -49.6 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -86.87 176.47 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -94.12 154.8 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -42.87 -60.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -47.12 -64.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -39.07 -39.13 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CD1' ' A' ' 33' ' ' ILE . 70.4 t -77.22 -54.97 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HB2' HD13 ' A' ' 40' ' ' LEU . 9.5 tttm -46.89 -28.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.98 -51.97 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.41 44.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.765 ' CG2' HD13 ' A' ' 16' ' ' ILE . 29.5 mt -55.52 -25.67 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.06 -59.79 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -49.46 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 84' ' ' SER . 10.5 mt -49.83 -43.28 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.32 -10.45 3.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -86.83 -158.47 32.12 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.8 mttt -160.77 134.65 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 30' ' ' LYS . 3.9 tt -74.31 145.82 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.52 HG21 ' HB2' ' A' ' 47' ' ' ALA . 9.4 t -132.08 166.93 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.9 -38.88 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.3 m -86.33 146.23 26.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 66' ' ' GLU . . . -84.77 -45.44 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -14.54 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -119.71 44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -134.79 154.93 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -97.11 -29.6 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.729 HD11 HG22 ' A' ' 75' ' ' VAL . 11.7 tp -150.59 158.06 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.75 ' SG ' HD23 ' A' ' 17' ' ' LEU . 4.7 t -124.13 145.08 49.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 18.0 mt -128.25 95.13 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 6.1 t -127.25 -172.01 2.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 60.3 p -108.1 161.51 14.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -40.77 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -53.84 -51.78 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HB3' ' CE ' ' A' ' 64' ' ' MET . 0.4 OUTLIER -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' THR . 21.8 t -48.53 -36.6 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.98 -26.35 56.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -79.71 -30.85 41.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 3.4 mmt 51.6 58.44 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -83.16 167.82 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.42 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HB2' HD21 ' A' ' 19' ' ' LEU . 21.2 mmtt -52.33 -49.2 64.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.483 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 50.1 tpp -66.46 -31.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -50.7 72.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 3.4 mm-40 -51.83 -35.75 45.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.814 HG13 ' HB ' ' A' ' 72' ' ' ILE . 40.2 t -75.05 -38.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HD2' ' HE1' ' A' ' 60' ' ' MET . 37.5 tttm -66.48 -40.22 89.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.69 -41.95 91.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASN . . . -86.49 10.48 15.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 104' ' ' ALA . 11.2 t30 40.06 54.37 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.814 ' HB ' HG13 ' A' ' 67' ' ' VAL . 86.5 mt -98.76 111.29 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HD2' ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -50.53 127.61 18.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 67' ' ' VAL . 3.9 t -100.41 114.93 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 HD11 ' A' ' 49' ' ' LEU . 31.0 m -112.5 168.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.477 ' HA ' HD11 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -81.7 173.13 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.04 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.94 60.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' GLN . 44.6 m-20 -52.85 -38.16 61.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 1.0 ' O ' HG22 ' A' ' 83' ' ' VAL . 59.3 t80 -42.84 -52.81 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 77.2 mt -49.15 -37.56 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.909 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -76.19 -25.28 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -82.57 -54.95 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -54.48 -41.72 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.785 ' CB ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.83 -16.58 53.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 81' ' ' GLN . . . -136.22 59.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 2.9 t 179.68 134.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.5 p -105.66 35.55 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.47 171.94 8.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 m -73.48 141.6 46.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 4.0 mm? -52.18 -58.38 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.84 -49.56 1.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' LEU . 6.4 mm-40 -59.23 -65.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 68.1 mt -38.18 -54.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.654 ' HE1' HD22 ' A' ' 49' ' ' LEU . 13.4 m-85 -51.67 -48.61 63.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.87 ' O ' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -65.68 -57.85 7.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -15.46 9.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 75' ' ' VAL . 95.2 m-70 -128.89 35.54 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.87 HG22 ' O ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -90.45 123.52 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 52' ' ' SER . 79.4 mt -99.14 -21.56 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.81 173.14 6.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 -13.56 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.419 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 12.0 p90 -99.32 -164.24 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' HA3' ' CA ' ' A' ' 73' ' ' ARG . . . 93.88 64.23 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.562 ' H ' ' ND2' ' A' ' 71' ' ' ASN . . . -141.79 -171.85 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.9 141.34 58.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -175.37 156.88 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.1 166.89 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.59 105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.87 -169.72 19.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.07 6.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.2 t -176.61 87.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.3 t 63.68 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.55 134.25 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.13 162.85 34.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.942 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.28 -161.99 8.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.09 149.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -170.82 115.18 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.69 -126.54 1.91 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -91.17 86.24 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' CB ' ' HB3' ' A' ' 12' ' ' SER . 1.7 mttt -127.6 92.03 44.08 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.557 ' CB ' HD21 ' A' ' 90' ' ' LEU . 18.4 Cg_endo -75.02 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD11 ' HZ ' ' A' ' 79' ' ' PHE . 2.7 mm? -79.95 -1.55 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.56 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -49.17 108.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 12' ' ' SER . 33.5 t30 85.12 55.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -165.46 128.61 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.619 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -88.46 121.15 30.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.759 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp -105.34 138.1 31.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.902 HD23 HG23 ' A' ' 41' ' ' THR . 0.7 OUTLIER -108.48 163.14 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.667 ' N ' HD13 ' A' ' 17' ' ' LEU . 71.0 p -140.81 148.52 40.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' CB ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -143.76 145.47 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.56 -148.7 44.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -122.81 125.56 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.53 168.56 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.3 t -49.6 -46.55 49.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -89.23 175.98 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -89.15 150.93 22.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -41.07 -61.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -45.6 -64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.3 -40.87 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.89 -53.51 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -48.6 -30.07 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.1 mmm -55.63 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.676 HG21 ' HB ' ' A' ' 16' ' ' ILE . 54.4 mt -40.53 -30.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' MET . 6.8 mt-10 -82.33 -44.99 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.905 ' HG3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -57.63 -33.87 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.905 HD22 ' HG3' ' A' ' 35' ' ' LYS . 1.7 mm? -77.44 -9.67 59.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.85 -22.94 24.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -65.7 -162.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -161.22 130.23 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -74.35 136.33 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.902 HG23 HD23 ' A' ' 17' ' ' LEU . 5.1 t -123.7 170.16 10.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.75 -40.57 2.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 46' ' ' LYS . 3.3 m -80.99 145.27 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.727 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.762 ' HB1' HG22 ' A' ' 67' ' ' VAL . . . -87.37 -45.38 10.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.534 ' OD1' ' HB2' ' A' ' 70' ' ' ALA . 7.0 t-20 -66.33 -11.05 48.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 43' ' ' THR . 3.2 tptp -115.93 37.94 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB2' HG21 ' A' ' 41' ' ' THR . . . -133.78 156.23 48.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -93.7 -30.13 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 94' ' ' PHE . 12.0 tp -144.68 159.43 42.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' N ' ' HG ' ' A' ' 49' ' ' LEU . 39.8 t -126.36 135.4 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 108.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.2 mt -119.38 94.13 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 2.4 t -126.46 -171.31 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.7 p -111.05 170.41 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.51 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -46.83 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.764 ' OE2' HD22 ' A' ' 19' ' ' LEU . 1.1 mm-40 -39.93 -63.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' THR . 42.5 t -48.32 -42.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.5 -25.67 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.32 -30.96 30.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.489 ' CE ' ' HG3' ' A' ' 64' ' ' MET . 1.9 mmt 51.99 56.38 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' MET . 22.8 t-20 -83.91 167.17 17.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -44.46 -55.74 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.778 ' CB ' HD21 ' A' ' 19' ' ' LEU . 15.7 mmmt -46.08 -33.27 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.489 ' HG3' ' CE ' ' A' ' 60' ' ' MET . 50.5 tpp -88.14 -24.84 23.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 1.5 pt-20 -67.92 -37.99 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 69' ' ' GLU . 4.9 mm-40 -65.44 -29.93 70.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' HB ' ' A' ' 72' ' ' ILE . 91.4 t -81.28 -30.92 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -73.01 -46.47 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' ALA . 12.6 pt-20 -55.91 -44.61 78.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . . . -82.67 5.24 21.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' HB3' HG11 ' A' ' 106' ' ' VAL . 5.9 t30 46.14 55.58 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.799 ' HB ' HG13 ' A' ' 67' ' ' VAL . 97.8 mt -99.04 111.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 94' ' ' PHE . 9.4 ptp180 -48.35 125.1 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 67' ' ' VAL . 5.2 t -99.25 114.36 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG22 HD11 ' A' ' 49' ' ' LEU . 15.5 m -114.25 176.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -173.8 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.18 -34.61 59.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -42.11 -49.48 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.533 ' HA ' ' CD2' ' A' ' 97' ' ' HIS . 5.1 t80 -39.17 -37.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 77' ' ' GLU . 39.0 mt -67.38 -51.89 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ASP . 32.6 tp60 -58.06 -25.08 60.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -84.87 -58.5 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -46.32 -35.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 p -79.45 -37.08 37.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.84 71.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 40.3 t -149.89 132.13 15.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.6 p -91.78 8.85 35.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.52 -165.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 92' ' ' GLU . 48.8 m -111.59 150.85 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 ' CB ' ' A' ' 10' ' ' PRO . 3.9 mm? -39.85 -56.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -36.0 -40.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' LEU . 4.6 mm-40 -67.46 -68.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' CD1' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -36.13 -54.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 7.6 m-85 -47.07 -57.49 5.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.0 -34.62 75.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.95 1.02 18.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 78' ' ' ASP . 87.0 m-70 -151.71 30.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -83.72 122.66 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 52' ' ' SER . 81.9 mt -100.4 -18.45 16.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -112.97 162.05 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -19.86 21.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.467 ' CD1' ' N ' ' A' ' 103' ' ' GLY . 10.6 p90 -91.28 -162.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' TRP . . . 90.27 65.77 1.21 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.62 -171.24 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 0.724 . . . . 0.0 109.374 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.3 129.37 24.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' H ' ' A' ' 107' ' ' LYS . 12.4 p -173.47 171.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.517 ' H ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -40.61 -63.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 39.08 78.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 38.44 -144.78 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.74 136.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t 59.84 151.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.98 . . . . . . . . 0 0 . 1 stop_ save_