data_1ffj_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 1ffj _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -108.22 178.09 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 108.341 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.93 150.5 20.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -171.28 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -47.03 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -85.34 138.38 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.05 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 13.6 mt -116.72 -36.11 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 11.8 m-85 -136.61 163.93 29.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 p -124.15 152.78 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.0 160.83 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.6 m -100.32 133.13 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.62 114.67 43.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.253 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.11 144.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.6 -53.07 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.8 92.27 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -96.68 6.95 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.1 mt -137.94 130.37 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.23 141.07 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 21.5 p90 -120.9 155.55 33.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.42 121.93 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 mtt -106.37 121.26 43.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -139.93 153.06 46.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.7 mtp -90.92 150.39 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.2 p -60.0 -14.14 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.42 -40.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.27 32.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.38 18.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -138.3 65.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -155.9 87.22 3.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.61 41.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -111.9 -36.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -167.96 149.03 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -142.02 168.33 20.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -176.76 -153.83 11.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 75.6 m -124.3 143.2 50.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -150.83 179.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -107.1 -49.42 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.93 146.11 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.11 134.25 31.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 166.53 29.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -64.73 141.34 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.76 129.95 39.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 p -111.24 173.59 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.21 -46.91 54.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -64.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.26 157.05 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -134.56 152.29 51.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.7 m-85 -128.8 145.5 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.18 141.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 m -123.77 152.41 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.03 140.79 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 108.341 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 4.4 p30 -105.26 63.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -142.89 165.62 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 m-20 -68.98 137.78 54.01 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 50.9 pttt 40.03 53.25 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.97 -45.94 10.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 24.8 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.7 m -131.01 -175.7 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -94.9 152.33 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 11.5 mmmt -86.91 -171.15 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -42.93 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -83.39 134.37 45.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.15 3.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -116.44 -35.68 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.16 169.69 17.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 p -127.73 149.99 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 2.8 tttt -134.53 179.47 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -117.45 129.69 55.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.8 121.64 84.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.463 1.77 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.44 138.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 108.83 -57.45 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 96.74 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -106.34 10.85 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.08 131.77 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.94 134.07 34.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 5.4 p90 -122.16 161.43 23.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.5 pttt -145.18 124.7 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.0 mtp -104.0 121.66 43.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -140.15 148.18 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mtt -85.6 146.74 26.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 12.5 p -60.14 -13.87 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.03 -38.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -161.45 150.07 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.72 17.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 5.4 t-160 -139.58 62.41 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 22.4 t -157.11 78.58 3.75 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.63 26.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 35' ' ' LYS . 6.8 p -90.71 -37.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -172.36 172.12 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 51.5 mtm180 -154.58 167.75 29.06 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.37 -171.49 44.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.581 1.176 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.9 m -105.45 156.06 18.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -160.65 -178.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -108.42 -48.21 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.5 m -116.93 150.39 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.56 133.68 26.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.94 37.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.71 141.98 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.69 145.71 26.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -124.53 174.79 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.32 -55.53 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -64.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG12 ' CE1' ' A' ' 51' ' ' TYR . 67.6 t -115.28 161.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.03 155.38 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.2 m-85 -133.43 149.23 51.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.34 155.38 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.8 m -140.02 157.66 45.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 144.88 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -108.13 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -150.21 156.3 41.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.1 123.4 20.17 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 mttt 60.8 51.16 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.21 -45.26 9.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 25.4 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.4 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -124.33 170.58 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.517 ' HG3' ' HD3' ' A' ' 58' ' ' LYS . 13.8 mmtt -89.3 142.91 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.8 -170.66 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.69 -71.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.79 135.57 42.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.2 3.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.0 mt -116.6 -35.45 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -136.7 155.04 50.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -117.13 156.08 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.6 156.21 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 m -90.58 134.55 34.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.73 136.81 51.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.348 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.2 8.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.65 40.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -42.07 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -96.73 93.27 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -110.73 13.3 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -138.87 130.51 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.19 137.21 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.634 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 3.9 p90 -118.45 152.05 36.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.1 pttp -137.82 122.7 18.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mtt -106.12 119.15 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -137.52 175.99 9.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.5 mtt -108.45 150.9 26.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.8 p -59.07 -14.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.95 -43.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.66 153.05 27.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -9.2 20.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -142.25 68.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 4.7 t -157.41 78.46 3.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.407 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 156.53 42.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.78 -41.45 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 42.7 tttt -153.75 153.66 32.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -143.81 169.75 17.18 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.634 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.27 -171.49 44.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.7 m -101.53 150.3 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tp -156.3 174.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -106.79 -48.38 3.53 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -123.17 146.23 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.41 135.46 26.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -72.46 135.88 45.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -82.09 138.21 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.0 p -114.41 178.95 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.946 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -79.57 -49.91 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.51 -56.67 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 m -128.75 152.75 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 158.3 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -130.96 144.36 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.26 130.94 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 m -120.0 155.43 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.247 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 147.09 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -107.53 63.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -141.35 149.64 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.83 122.04 14.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HD3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 59.3 54.16 4.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -88.28 -47.97 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 27.8 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 pttp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.67 -178.11 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -93.76 144.31 25.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -80.71 -174.15 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.1 t -83.21 134.76 45.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 53.92 3.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 36.1 mt -115.7 -34.99 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.4 m-85 -139.46 155.84 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.6 p -118.59 151.48 37.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 155.83 42.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -92.4 125.57 37.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.73 140.22 97.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.46 6.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.2 143.01 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.23 -43.04 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -91.67 89.66 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.69 11.21 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 mt -133.26 130.83 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -95.84 130.81 42.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.626 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.3 p90 -112.0 153.97 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 4.9 ttpt -139.92 117.28 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.439 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 11.3 mtt -97.0 125.18 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -143.88 145.57 32.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.7 mtt -79.98 147.19 31.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.6 p -60.0 -14.24 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -40.52 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.52 151.79 24.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -21.1 16.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -128.84 61.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -153.07 84.04 4.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.62 41.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 35' ' ' LYS . 7.2 p -106.78 -33.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -172.11 174.2 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 82.3 mtm-85 -150.11 173.68 13.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.83 -179.18 48.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.589 1.181 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -104.63 154.63 19.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -159.2 178.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.35 -34.07 5.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.9 148.25 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.89 130.32 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 108.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -81.04 143.83 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.89 125.96 49.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -105.51 174.82 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.65 -50.75 27.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -64.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 m -113.96 148.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 157.22 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.95 136.59 44.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.0 133.97 65.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -119.44 149.55 41.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.16 151.1 19.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -113.87 70.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 35.2 p -148.69 156.05 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 123.8 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.9 53.68 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.38 -47.89 7.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 26.7 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -128.84 -173.78 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -92.96 154.46 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -88.77 -170.83 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -42.61 -67.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.72 138.96 29.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 53.57 3.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -117.24 -35.41 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.61 164.02 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -122.53 157.59 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.92 174.77 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -121.65 123.74 42.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 4.0 m -57.69 121.6 50.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -40.18 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.21 -55.53 4.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -106.75 102.99 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.27 10.08 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.3 mt -123.94 130.32 52.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -84.78 138.97 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 2.0 p90 -133.12 164.26 27.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 12.6 pttt -149.52 128.33 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.4 mtm -102.02 130.9 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -148.1 147.97 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.08 144.38 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -60.15 -13.93 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -39.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.31 149.55 32.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.37 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -142.19 69.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 2.7 t -158.75 84.94 2.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.73 39.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 35' ' ' LYS . 11.9 p -102.97 -36.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -166.37 174.78 8.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 29.0 mtm-85 -147.02 170.51 16.96 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 178.01 -165.22 34.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.26 143.75 49.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.3 tt -142.53 -176.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.4 -47.33 3.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.46 137.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 127.02 93.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 163.98 34.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 138.2 55.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.05 132.83 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 p -111.22 172.83 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.95 -43.19 68.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -64.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 m -115.49 155.02 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -138.9 156.57 47.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 7.0 m-85 -133.14 149.15 52.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -128.43 132.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.7 165.79 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.66 156.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 16.1 p-10 -118.81 63.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.1 p -142.67 150.55 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.15 119.86 11.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 65.97 52.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.605 1.191 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.71 -48.07 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 28.8 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -132.16 -175.29 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -93.55 149.45 21.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 mmmt -83.99 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -42.81 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.97 132.87 55.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.22 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.64 -35.61 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -137.64 158.44 44.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -116.34 150.62 37.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -142.58 179.5 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -109.42 129.38 55.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.9 140.26 91.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.25 31.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.801 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 156.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.74 -46.0 3.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -95.21 90.52 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -107.34 21.75 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.01 131.85 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.0 m -97.35 131.1 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.261 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 7.6 p90 -123.63 157.37 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 9.1 pttt -143.89 123.62 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.7 mtt -98.57 131.27 44.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.457 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 24.7 p90 -143.28 159.0 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.7 mtt -91.97 148.83 21.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.9 p -58.56 -15.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.64 -44.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.444 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -145.82 151.95 47.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -21.62 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -134.69 61.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 54.1 t -152.21 85.45 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.94 165.06 32.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.816 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.83 -39.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -155.48 168.73 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 30.2 mtm180 -152.01 165.26 35.23 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -174.32 -178.32 44.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.54 141.53 36.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -147.44 179.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 14.7 p-10 -110.83 -41.09 4.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.05 153.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.87 128.71 46.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.35 37.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -60.7 141.25 57.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -101.07 135.43 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -114.62 -179.55 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.94 -47.98 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.39 -59.87 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.07 149.7 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -130.51 159.76 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.53 145.07 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.53 134.77 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -121.04 160.06 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.41 160.83 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -120.76 63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -142.12 152.94 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.62 120.94 13.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 64.48 53.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.59 -46.24 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 21.0 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.98 170.7 10.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 1.5 mtmp? -89.63 143.9 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -76.31 -172.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.86 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 45.6 t -81.72 133.2 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.99 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.15 -35.87 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -139.25 157.76 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.2 p -124.34 157.65 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -143.14 167.27 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.04 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.55 138.24 25.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.43 148.35 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 95.3 -42.19 2.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -92.24 94.52 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -112.08 6.7 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.9 mp -140.03 130.46 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.34 139.78 31.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' C ' ' A' ' 37' ' ' GLY . 8.3 p90 -114.15 144.1 43.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.6 ttpt -127.36 116.1 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.7 mtm -102.71 121.23 42.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -146.59 172.13 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.75 150.38 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -59.98 -14.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.71 -42.01 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.42 153.83 13.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -132.5 63.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 8.5 t -156.59 74.41 4.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.432 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.1 159.36 41.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.64 -43.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 11.2 mttt -151.84 141.19 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 4.9 mtp180 -142.22 170.71 15.2 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.57 ' C ' ' CE1' ' A' ' 22' ' ' TYR . . . 174.01 -167.81 40.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.82 154.3 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -161.96 178.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 37.9 t0 -112.13 -46.26 3.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.27 154.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.07 134.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.93 7.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -67.27 155.63 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.9 133.89 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 p -109.39 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.4 -54.58 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 m -115.03 154.27 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.66 157.01 46.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.24 154.52 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.44 124.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.8 159.51 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.66 143.74 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 8.0 p-10 -103.27 69.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 60.8 p -146.24 151.13 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.64 119.82 11.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 63.5 52.81 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.55 -47.83 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 28.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.1 m -126.79 -174.46 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.89 151.26 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.5 mtpt -88.74 -170.72 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LYS . 5.4 mp -39.77 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 8' ' ' PRO . 99.5 t -85.88 141.57 35.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.98 54.01 3.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.47 -35.72 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -123.78 154.27 39.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -139.39 150.85 45.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -90.9 144.32 25.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.88 118.67 68.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.3 157.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.73 -47.23 3.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 89.56 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -108.38 11.4 27.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -117.17 130.27 56.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.2 m -96.26 128.9 43.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' HE2' ' A' ' 24' ' ' MET . 2.1 p90 -127.55 158.34 37.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -144.72 136.67 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.551 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 58.1 mtt -112.96 127.81 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 14.3 p90 -140.65 171.11 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.8 mtt -97.13 149.98 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.7 p -58.97 -14.82 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.59 -42.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.75 16.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.53 8.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 13.0 t60 -145.34 63.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 52.0 t -158.35 81.26 2.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 155.72 42.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 35' ' ' LYS . 7.8 p -112.73 -32.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -159.53 160.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -147.27 168.83 20.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.99 179.93 44.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.0 m -103.29 158.71 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -165.45 -176.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.8 p30 -107.97 -47.74 3.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.3 p -112.19 152.02 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.11 137.79 22.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 142.72 57.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -94.81 127.35 40.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -112.18 174.16 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.33 -58.43 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -45.42 -62.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 152.13 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -132.54 152.37 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.41 151.29 48.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.13 143.81 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.7 m -134.55 156.95 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 108.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.53 169.25 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -126.89 68.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.5 p -150.28 158.06 43.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.51 126.69 29.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.07 52.35 11.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.81 -48.11 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.353 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 14.2 p-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.62 179.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.538 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.4 mmtm -93.06 146.84 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -87.25 -169.77 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.31 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 99.1 t -88.53 140.2 29.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.02 52.65 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.0 mt -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.13 163.63 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -119.55 148.82 42.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -129.93 148.77 51.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -96.12 122.18 38.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.62 114.87 22.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.65 24.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.31 157.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 88.55 -41.75 3.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.61 97.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -110.34 15.37 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -128.0 130.74 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -92.84 128.7 38.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -115.66 150.72 36.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 23.3 pttt -136.93 124.35 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 55.3 mtp -111.26 126.01 54.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.59 167.94 20.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.8 mtt -91.08 147.99 22.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -57.94 -15.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.45 -45.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.98 154.25 18.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.85 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -142.21 57.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -147.43 78.86 9.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.76 35.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.46 -41.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 25.5 ttmt -148.78 155.12 40.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 31.9 mtm180 -154.89 165.15 37.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.12 -166.37 35.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -115.91 154.68 29.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -171.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 14.4 t0 -114.84 -45.36 2.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.65 133.04 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.06 136.83 22.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.16 35.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.803 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -70.57 141.34 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -75.59 143.26 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -119.75 178.2 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.15 -56.9 4.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 32.3 tp -48.85 -60.48 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.29 156.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -132.33 152.88 51.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.54 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.34 135.33 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.237 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.11 155.89 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.83 147.51 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -109.77 65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.0 p -143.72 158.21 43.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.02 128.91 37.74 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 16.5 ttpt 51.81 56.2 8.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.3 -47.89 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -128.83 -179.13 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CG ' ' HG2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -89.37 146.26 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.9 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.75 -72.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 59.1 t -83.06 135.69 44.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 53.54 3.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.11 -33.17 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -141.26 166.53 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -127.94 149.29 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -133.09 151.49 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -92.91 127.5 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.92 140.13 95.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.97 34.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.97 144.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.33 -49.44 1.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -93.45 95.43 9.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -111.44 16.0 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 39.4 mt -129.94 131.22 45.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.2 m -94.94 139.81 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.9 p90 -129.19 153.5 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -105.1 123.67 48.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 10.9 p90 -138.29 163.14 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtt -95.95 153.49 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.53 -15.26 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.94 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -146.58 152.29 45.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.39 15.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -136.35 63.07 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 51.8 t -151.68 87.29 4.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 162.55 37.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 35' ' ' LYS . 10.3 p -117.64 -42.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -154.57 141.01 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -128.91 172.3 11.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.53 -175.77 45.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 m -106.93 144.9 32.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -174.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -119.96 -41.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.63 143.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 135.24 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 160.55 40.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.48 137.53 57.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.78 131.92 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' VAL . 17.1 p -110.77 175.52 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.92 -53.55 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -55.91 13.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' SER . 20.6 m -124.44 153.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.11 153.99 51.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 9.1 m-85 -128.54 154.27 46.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.97 146.56 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.73 155.89 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.89 150.51 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.6 p30 -110.81 66.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 p -144.5 155.03 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.19 124.73 22.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 10.4 mtmm 57.54 55.08 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -96.11 -47.66 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 13.3 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HG2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.98 -179.36 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -87.69 139.87 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -78.18 -170.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -47.28 -63.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 9' ' ' LEU . 88.1 t -85.16 132.7 44.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.18 3.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 16.8 mt -116.55 -35.49 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 2.9 m-85 -143.35 164.3 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 p -127.17 153.64 45.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.02 160.05 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -85.62 137.52 32.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.9 m -82.01 136.2 47.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.37 33.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 158.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.49 -46.31 3.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.71 90.64 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -109.49 16.64 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 38.2 mt -134.66 132.08 38.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.6 m -94.37 130.05 40.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.3 p90 -112.86 149.4 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 10.3 pttt -138.16 123.72 19.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.1 mtt -102.8 123.17 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -137.85 164.57 28.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.99 153.44 18.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -59.63 -14.41 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.51 -42.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.95 151.1 21.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.4 t-160 -143.02 65.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 54.2 t -155.12 83.94 3.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HB2' HH11 ' A' ' 36' ' ' ARG . 18.3 Cg_endo -74.98 148.95 36.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 35' ' ' LYS . 8.1 p -108.3 -33.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 8.2 mttt -156.5 170.74 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.587 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 93.0 mtm-85 -161.31 165.46 29.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.507 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.08 -179.97 48.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -98.64 144.76 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 -179.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.27 -39.28 4.76 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -125.94 155.39 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.98 136.13 20.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 175.65 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 146.92 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.29 131.79 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -108.92 172.48 6.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.49 -45.81 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 2.1 tp -55.92 -67.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.58 153.95 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -132.76 156.15 47.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 10.5 m-85 -127.38 143.44 51.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.85 132.9 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 m -122.52 149.94 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.07 165.06 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 12.3 p-10 -121.94 64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 25.3 p -145.23 159.64 42.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' OD1' ' HG2' ' A' ' 2' ' ' LYS . 2.7 m-20 -66.85 131.61 46.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 52.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.23 -47.05 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 15.8 p-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.4 174.34 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.1 mmtp -99.73 144.46 28.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -167.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.29 -64.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.69 137.66 26.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 54.45 3.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.6 -35.92 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.34 148.52 52.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -123.46 152.62 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 158.28 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -97.86 141.05 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.08 114.42 63.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.75 146.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 100.39 -39.98 2.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.14 109.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.94 2.08 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.08 141.12 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 1.7 p90 -123.45 148.15 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -136.5 122.48 20.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mtm -111.15 122.36 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -144.62 164.51 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 mtm -91.61 146.13 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -58.89 -14.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.79 -43.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -151.61 152.23 30.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.24 16.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.2 t60 -143.53 70.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 53.3 t -156.59 80.75 3.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.401 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 18.0 Cg_endo -75.02 152.78 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 35' ' ' LYS . 9.9 p -116.06 -38.6 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.7 ttmt -160.34 144.48 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 23' ' ' LYS . 4.7 mpp_? -144.52 171.99 13.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.22 -165.48 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.92 157.03 16.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -164.33 -178.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 48.3 t0 -109.19 -48.21 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.55 156.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.53 138.18 24.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.81 39.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.01 138.07 57.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.18 128.52 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -109.71 174.82 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.15 -48.81 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -55.84 -67.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 m -111.35 147.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.88 146.27 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.51 159.59 34.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -149.23 139.53 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.54 168.56 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.41 143.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -103.61 62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.4 p -139.18 143.99 38.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.76 119.82 8.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 62.21 55.26 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -87.61 -48.93 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.563 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 36.0 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.15 -174.91 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.23 144.32 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.441 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.84 -170.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.97 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.64 138.2 41.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.68 3.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -116.91 -35.46 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -138.12 163.41 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 p -121.77 158.64 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 2.5 mttm -148.12 162.81 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -98.83 147.13 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -96.87 131.62 27.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.73 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.49 163.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.12 -47.84 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -92.89 88.86 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -106.66 14.17 27.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 37.5 mt -137.63 131.63 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.3 m -93.69 136.16 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.8 p90 -114.1 149.98 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -135.98 119.58 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.2 mtt -103.29 124.47 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 3.7 p90 -138.98 148.38 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.0 mtt -92.63 147.96 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.2 p -59.98 -14.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.42 153.25 30.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.63 17.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.16 60.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.78 90.58 3.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.44 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -110.87 -39.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -174.73 157.21 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 40.9 mtm180 -139.85 174.21 10.74 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.67 -172.43 43.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.6 m -106.15 150.31 25.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.19 -178.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.15 -47.01 3.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.27 156.27 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 135.95 20.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 163.11 36.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.93 138.22 58.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.18 143.2 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 86.7 p -118.74 -171.41 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -87.01 -47.35 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 49' ' ' VAL . 2.2 tp -63.23 -64.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 48' ' ' LEU . 19.4 t -109.84 148.63 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 46' ' ' SER . 3.9 tttp -135.93 160.41 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 13.2 m-85 -132.87 154.0 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.98 130.9 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -112.34 152.27 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.03 150.46 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 46.6 p-10 -110.87 66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 81.8 p -145.0 154.26 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.94 123.89 21.04 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.14 54.03 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.93 -45.58 7.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 27.2 p-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.61 -176.93 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -91.61 147.22 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -81.15 -171.17 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.94 -68.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.43 136.61 37.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 53.97 3.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -116.37 -35.54 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -137.13 159.57 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 p -112.62 150.66 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -146.74 151.4 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.47 117.97 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 m -46.4 140.39 5.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.15 147.13 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.51 -49.7 1.85 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -96.74 96.16 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.26 15.94 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 34.5 mt -126.62 132.28 51.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 m -93.9 133.26 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.636 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 1.6 p90 -129.74 158.87 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -145.7 130.58 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.1 mtp -107.56 135.53 48.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 25' ' ' PHE . 9.9 p90 -148.01 149.14 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.2 mtt -88.82 136.99 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.5 t -59.24 -14.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.5 -41.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.64 148.09 29.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -2.36 12.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -149.12 60.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 55.9 t -157.54 84.02 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.42 42.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 35' ' ' LYS . 13.9 p -97.87 -44.95 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -175.3 165.38 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -130.65 170.63 14.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.636 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -175.84 -172.23 40.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.51 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 51.3 m -120.17 145.19 47.2 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.459 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -149.51 178.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -114.1 -36.62 4.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -114.7 139.15 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.19 120.77 72.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.66 36.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.66 147.45 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -95.9 137.56 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.7 p -112.12 173.35 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.17 -45.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.37 -65.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 51' ' ' TYR . 68.0 t -114.03 156.77 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.12 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.1 m-85 -130.57 148.5 52.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.1 t -133.45 129.46 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -120.15 160.4 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.17 167.53 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p30 -127.22 60.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.98 150.3 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.19 119.66 11.29 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.17 52.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.05 -47.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 18.7 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.7 tttp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.5 m -126.84 -178.95 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.85 149.4 21.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -86.06 -171.8 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.33 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.8 t -81.75 131.25 58.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.17 3.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mt -116.54 -35.62 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.22 158.74 43.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 p -125.34 149.1 48.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.57 -175.78 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 133.59 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.44 116.04 51.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.46 16.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.58 145.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.76 -39.5 2.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.72 104.98 8.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.31 12.53 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.85 131.39 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 m -91.57 131.53 36.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.7 p90 -117.07 149.88 39.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.5 ttpt -137.21 115.51 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.8 mtm -99.23 128.63 45.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 12.1 p90 -151.35 154.33 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -83.2 148.48 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -59.64 -14.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.37 -42.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.27 145.4 17.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.98 17.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.28 48.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.645 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.4 t -139.65 82.24 18.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 154.46 42.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -112.0 -31.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.4 ptmt -166.78 170.28 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 55.7 mtm180 -159.98 172.05 18.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 171.14 -173.67 44.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.5 m -100.74 156.42 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -162.52 -178.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 4.0 p-10 -110.31 -48.37 3.18 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.8 p -119.14 146.47 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.89 23.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 171.66 17.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -70.6 140.57 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 133.52 35.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -114.61 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.2 -52.69 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -62.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.56 153.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 154.5 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 8.1 m-85 -130.55 144.86 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.4 t -127.45 124.91 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.86 154.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.47 148.48 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -112.65 66.34 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.4 p -144.72 155.34 43.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.39 123.64 20.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.38 54.1 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.68 -48.6 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 21.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 pttp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.7 -178.72 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.33 146.75 23.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 38.7 mtmt -83.78 -171.55 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.61 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 9' ' ' LEU . 76.3 t -84.74 136.33 39.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 52.63 3.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 16.7 mt -115.73 -34.57 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 m-85 -139.96 165.42 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -124.21 156.51 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 3.4 tttp -140.49 168.79 18.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 m -107.1 117.32 33.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.65 113.02 11.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.99 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.01 158.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 90.16 -39.75 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.22 97.41 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.79 12.62 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -124.06 130.36 52.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 m -97.43 120.16 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -116.17 158.34 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -142.79 131.03 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 46.8 mtt -108.29 123.75 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -144.34 150.9 38.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mtt -83.14 147.03 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.78 -15.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.88 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.18 153.46 41.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.7 17.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -133.75 59.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 t -146.77 77.28 11.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.14 42.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.39 -33.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.1 pttp -159.92 174.27 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 56.7 mtm180 -161.95 169.93 20.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.91 -173.96 45.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 m -118.73 152.21 36.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 tt -159.41 -176.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 6.3 t0 -105.17 -46.86 4.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.85 133.43 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.36 134.49 31.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 161.61 38.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' SER . 21.3 tptt -73.46 143.31 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 2.9 m -81.61 138.09 35.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -114.39 172.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.61 -52.58 17.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.33 -66.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 50' ' ' LYS . 88.5 t -111.63 156.17 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -129.92 157.75 41.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -134.96 136.46 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -122.0 129.62 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 m -118.51 153.99 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.13 143.16 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.7 69.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 44.1 p -147.18 158.04 43.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.36 127.49 32.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.86 53.54 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -93.41 -48.02 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 17.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -131.69 -176.31 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -96.83 153.11 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -89.96 -171.2 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 5.1 mp -40.76 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -88.42 139.27 30.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.3 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.78 -35.71 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.82 164.98 26.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 p -123.77 155.54 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.89 158.15 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -98.84 139.0 35.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.2 m -81.43 114.42 49.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.61 35.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.1 151.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.59 -39.66 2.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.93 108.68 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -117.78 5.6 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.8 mt -119.68 129.6 54.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.25 136.27 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.4 p90 -125.64 150.65 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 9.5 ttpt -137.83 122.98 19.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.6 mtt -108.91 121.32 44.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -141.02 151.27 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -91.44 152.46 20.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -60.05 -14.09 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.19 -40.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.65 151.97 27.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -15.13 20.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -141.21 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -152.82 90.29 3.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 162.09 37.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.06 -40.01 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -164.16 140.73 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.532 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 5.3 mtp180 -138.47 171.43 14.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.493 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.63 -166.0 39.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.56 152.92 24.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.12 -173.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.2 -46.97 2.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.31 143.23 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 133.56 22.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 159.97 40.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -57.23 144.03 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -93.7 124.84 37.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.3 p -105.8 176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.44 -59.71 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.66 -60.48 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.52 147.1 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.3 m-85 -124.45 151.12 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.14 141.59 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.8 m -128.72 152.16 48.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.42 149.59 8.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 4.2 p30 -108.18 60.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 32.5 p -141.55 162.39 35.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 2.0 m-20 -70.04 137.84 51.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 23.5 pttt 44.37 47.24 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.23 -47.6 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 17.2 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.1 m -123.34 -173.62 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -98.21 153.62 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mtmp? -86.24 -170.02 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -42.25 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 8' ' ' PRO . 76.9 t -84.39 140.8 39.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 mt -116.6 -35.21 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -135.35 162.75 31.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -118.64 159.23 23.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -147.81 155.81 42.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 m -110.56 122.95 49.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.26 117.6 28.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.78 156.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 86.6 -49.96 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -116.21 109.03 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.98 14.53 13.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -123.14 130.55 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -87.44 133.49 33.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 108.341 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.6 p90 -125.45 164.07 21.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.9 pttp -149.24 130.07 14.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.4 mtt -104.7 131.17 52.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 18.7 p90 -148.61 148.85 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.93 144.14 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -58.67 -15.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.03 -43.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.66 149.52 50.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.13 20.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -140.52 68.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 t -156.95 85.31 2.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 155.12 43.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 35' ' ' LYS . 13.8 p -108.93 -36.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -160.93 175.04 12.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -147.7 171.2 16.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.84 -167.1 36.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 19.1 m -123.3 141.6 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.5 tt -144.59 -178.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 18.5 t0 -112.35 -49.39 2.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.91 130.4 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.0 127.15 92.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.9 39.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -58.44 138.01 56.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -93.26 134.26 35.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 p -109.78 173.13 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.25 -46.67 60.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 27' ' ' VAL . 17.7 tp -55.22 -65.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.1 157.35 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.65 150.42 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.25 148.69 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.9 t -130.02 134.97 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -122.07 162.13 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 139.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -101.73 58.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -137.76 158.27 44.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.7 m-20 -69.63 134.65 48.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 1.2 ptmt 48.93 47.26 21.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -80.03 -47.77 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 m -140.9 -176.89 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -91.2 141.52 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.26 -172.74 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.43 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -83.63 133.49 46.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.15 3.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 15.9 mt -116.4 -35.5 4.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.9 m-85 -139.18 165.62 26.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -123.67 152.61 41.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -139.37 149.08 43.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -85.42 140.34 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.8 140.12 47.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.56 35.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.88 151.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.83 -48.79 2.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.697 ' HZ2' ' HD2' ' A' ' 40' ' ' ASP . 2.5 mmtt -94.43 93.75 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.05 14.64 22.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.23 130.78 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -92.83 139.86 30.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -121.81 148.28 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.7 tttt -136.01 122.32 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt -104.81 122.97 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 23.8 p90 -141.68 145.65 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.3 mtp -82.09 153.59 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.7 t -60.38 -13.72 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.9 -36.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -148.48 153.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.07 18.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -146.27 69.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 42.8 t -151.75 88.43 4.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.4 Cg_endo -75.05 153.46 41.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 35' ' ' LYS . 5.4 p -109.96 -46.87 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.1 mtpm? -144.29 157.66 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 2.5 mpp_? -144.97 172.17 13.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.44 179.93 47.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.5 m -103.74 152.69 21.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.99 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.697 ' HD2' ' HZ2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -117.84 -42.0 2.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -110.56 139.49 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 138.43 20.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.31 40.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 146.84 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -92.82 128.88 38.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.9 p -107.19 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.55 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tp -46.99 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.48 151.62 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.74 158.87 43.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -131.45 160.0 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.41 136.64 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 m -123.08 154.9 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.13 144.71 4.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.19 64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.428 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 9.0 p -139.88 154.38 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.58 124.43 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.47 52.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.24 -45.87 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 18.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.09 -177.66 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 152.09 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.22 -171.04 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -45.56 -65.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.16 134.54 40.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.0 mt -116.28 -35.8 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -138.41 164.45 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -124.77 152.24 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 -177.82 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 m -117.32 133.2 56.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.89 125.84 90.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.49 150.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 92.58 -49.45 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 97.26 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -114.77 16.09 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.1 131.24 53.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 127.08 42.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.7 p90 -114.72 154.12 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 8.5 pttt -139.61 124.28 18.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mtm -108.0 134.54 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -147.8 163.12 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.4 mtt -92.66 149.53 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ALA . 11.1 p -57.77 -15.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.44 -46.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.91 143.49 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -142.61 54.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -152.7 87.83 4.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.69 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.72 -43.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 11.8 mttt -151.91 162.08 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 41.3 mtm180 -156.87 162.73 39.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.94 -173.6 45.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.97 157.7 16.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tt -165.53 -176.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -111.61 -47.46 3.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 42' ' ' CYS . 75.6 t -114.32 138.23 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -88.34 137.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.74 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -68.62 145.02 54.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.25 127.98 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 p -109.55 173.13 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.93 -59.85 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.76 -63.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.44 150.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.24 151.93 51.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -131.49 148.24 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.9 t -134.99 137.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.8 m -115.95 160.07 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.37 144.61 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -105.74 58.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.4 p -134.96 154.69 51.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.84 126.08 27.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 53.04 7.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -97.28 -46.21 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 23.4 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.66 102.83 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -108.22 178.09 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 108.341 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.93 150.5 20.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -171.28 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -47.03 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -85.34 138.38 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.05 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 13.6 mt -116.72 -36.11 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 11.8 m-85 -136.61 163.93 29.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 p -124.15 152.78 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.0 160.83 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.6 m -100.32 133.13 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.62 114.67 43.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.253 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.11 144.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.6 -53.07 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.8 92.27 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -96.68 6.95 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.1 mt -137.94 130.37 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.23 141.07 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 21.5 p90 -120.9 155.55 33.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.42 121.93 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 mtt -106.37 121.26 43.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -139.93 153.06 46.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.616 ' HB2' ' H1 ' ' A' ' 61' ' ' HOH . 22.7 mtp -90.92 150.39 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.2 p -60.0 -14.14 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.42 -40.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.27 32.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.38 18.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -138.3 65.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -155.9 87.22 3.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.61 41.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -111.9 -36.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -167.96 149.03 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -142.02 168.33 20.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -176.76 -153.83 11.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 75.6 m -124.3 143.2 50.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -150.83 179.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -107.1 -49.42 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.93 146.11 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.11 134.25 31.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 166.53 29.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -64.73 141.34 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.76 129.95 39.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 p -111.24 173.59 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.21 -46.91 54.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -64.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.26 157.05 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -134.56 152.29 51.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.7 m-85 -128.8 145.5 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.18 141.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 m -123.77 152.41 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.03 140.79 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 108.341 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 4.4 p30 -105.26 63.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -142.89 165.62 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 m-20 -68.98 137.78 54.01 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 50.9 pttt 40.03 53.25 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.97 -45.94 10.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 24.8 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.616 ' H1 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.79 109.29 16.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.7 m -131.01 -175.7 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -94.9 152.33 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 11.5 mmmt -86.91 -171.15 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -42.93 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -83.39 134.37 45.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.15 3.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 mt -116.44 -35.68 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.16 169.69 17.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 p -127.73 149.99 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 2.8 tttt -134.53 179.47 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -117.45 129.69 55.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.8 121.64 84.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.463 1.77 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.44 138.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 108.83 -57.45 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 96.74 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -106.34 10.85 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.08 131.77 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.94 134.07 34.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 5.4 p90 -122.16 161.43 23.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.5 pttt -145.18 124.7 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.0 mtp -104.0 121.66 43.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -140.15 148.18 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.58 ' HB2' ' H1 ' ' A' ' 61' ' ' HOH . 23.8 mtt -85.6 146.74 26.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 12.5 p -60.14 -13.87 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.03 -38.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -161.45 150.07 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.72 17.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 5.4 t-160 -139.58 62.41 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 22.4 t -157.11 78.58 3.75 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.63 26.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 35' ' ' LYS . 6.8 p -90.71 -37.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -172.36 172.12 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 51.5 mtm180 -154.58 167.75 29.06 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.37 -171.49 44.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.581 1.176 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.9 m -105.45 156.06 18.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -160.65 -178.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.6 OUTLIER -108.42 -48.21 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.5 m -116.93 150.39 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.56 133.68 26.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.94 37.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.71 141.98 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.69 145.71 26.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -124.53 174.79 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.32 -55.53 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -64.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG12 ' CE1' ' A' ' 51' ' ' TYR . 67.6 t -115.28 161.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.03 155.38 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.2 m-85 -133.43 149.23 51.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.34 155.38 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.8 m -140.02 157.66 45.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 144.88 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -108.13 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -150.21 156.3 41.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.1 123.4 20.17 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 mttt 60.8 51.16 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.21 -45.26 9.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 25.4 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.58 ' H1 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -124.78 126.18 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -124.33 170.58 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.517 ' HG3' ' HD3' ' A' ' 58' ' ' LYS . 13.8 mmtt -89.3 142.91 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.8 -170.66 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.69 -71.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.79 135.57 42.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.2 3.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.0 mt -116.6 -35.45 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -136.7 155.04 50.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -117.13 156.08 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.6 156.21 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 m -90.58 134.55 34.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.73 136.81 51.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.348 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.2 8.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.65 40.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -42.07 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -96.73 93.27 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -110.73 13.3 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -138.87 130.51 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.19 137.21 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.634 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 3.9 p90 -118.45 152.05 36.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.1 pttp -137.82 122.7 18.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mtt -106.12 119.15 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -137.52 175.99 9.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.5 mtt -108.45 150.9 26.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.8 p -59.07 -14.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.95 -43.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.66 153.05 27.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -9.2 20.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -142.25 68.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 4.7 t -157.41 78.46 3.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.407 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 156.53 42.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.78 -41.45 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 42.7 tttt -153.75 153.66 32.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -143.81 169.75 17.18 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.634 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.27 -171.49 44.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.7 m -101.53 150.3 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tp -156.3 174.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -106.79 -48.38 3.53 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -123.17 146.23 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.41 135.46 26.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -72.46 135.88 45.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -82.09 138.21 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.0 p -114.41 178.95 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.946 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -79.57 -49.91 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.51 -56.67 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 m -128.75 152.75 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 158.3 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -130.96 144.36 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.26 130.94 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 m -120.0 155.43 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.247 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 147.09 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -107.53 63.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -141.35 149.64 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.83 122.04 14.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HD3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 59.3 54.16 4.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -88.28 -47.97 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 27.8 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -108.23 120.48 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.67 -178.11 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -93.76 144.31 25.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -80.71 -174.15 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.1 t -83.21 134.76 45.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 53.92 3.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 36.1 mt -115.7 -34.99 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.4 m-85 -139.46 155.84 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.6 p -118.59 151.48 37.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 155.83 42.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -92.4 125.57 37.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.73 140.22 97.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 179.46 6.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.2 143.01 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.23 -43.04 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -91.67 89.66 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.69 11.21 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 mt -133.26 130.83 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -95.84 130.81 42.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.626 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.3 p90 -112.0 153.97 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 4.9 ttpt -139.92 117.28 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.439 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 11.3 mtt -97.0 125.18 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -143.88 145.57 32.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.576 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 1.7 mtt -79.98 147.19 31.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.6 p -60.0 -14.24 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -40.52 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.52 151.79 24.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -21.1 16.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -128.84 61.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -153.07 84.04 4.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.62 41.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 35' ' ' LYS . 7.2 p -106.78 -33.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -172.11 174.2 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 82.3 mtm-85 -150.11 173.68 13.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.83 -179.18 48.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.589 1.181 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -104.63 154.63 19.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -159.2 178.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -113.35 -34.07 5.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.9 148.25 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.89 130.32 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 108.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -81.04 143.83 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.89 125.96 49.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -105.51 174.82 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.65 -50.75 27.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -64.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 m -113.96 148.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 157.22 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.95 136.59 44.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.0 133.97 65.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -119.44 149.55 41.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.16 151.1 19.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -113.87 70.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 35.2 p -148.69 156.05 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 123.8 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.9 53.68 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.38 -47.89 7.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 26.7 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.576 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -86.15 109.81 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -128.84 -173.78 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -92.96 154.46 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -88.77 -170.83 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -42.61 -67.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.72 138.96 29.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 53.57 3.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -117.24 -35.41 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.61 164.02 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -122.53 157.59 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.92 174.77 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -121.65 123.74 42.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 4.0 m -57.69 121.6 50.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -40.18 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.21 -55.53 4.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -106.75 102.99 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.27 10.08 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.3 mt -123.94 130.32 52.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -84.78 138.97 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 2.0 p90 -133.12 164.26 27.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 12.6 pttt -149.52 128.33 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.4 mtm -102.02 130.9 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -148.1 147.97 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.702 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 0.0 OUTLIER -83.08 144.38 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -60.15 -13.93 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -39.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.31 149.55 32.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 62' ' ' HOH . 18.4 Cg_endo -74.98 -13.37 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -142.19 69.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 2.7 t -158.75 84.94 2.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.73 39.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 35' ' ' LYS . 11.9 p -102.97 -36.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -166.37 174.78 8.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 29.0 mtm-85 -147.02 170.51 16.96 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 178.01 -165.22 34.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.26 143.75 49.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.3 tt -142.53 -176.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.4 -47.33 3.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.46 137.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 127.02 93.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 163.98 34.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 138.2 55.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.05 132.83 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 p -111.22 172.83 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.95 -43.19 68.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -64.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 m -115.49 155.02 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -138.9 156.57 47.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 7.0 m-85 -133.14 149.15 52.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -128.43 132.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.7 165.79 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.66 156.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 16.1 p-10 -118.81 63.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.1 p -142.67 150.55 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.15 119.86 11.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 65.97 52.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.605 1.191 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.71 -48.07 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 28.8 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.702 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . 0.42 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -114.68 108.45 16.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -132.16 -175.29 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -93.55 149.45 21.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 mmmt -83.99 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -42.81 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.97 132.87 55.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.22 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.64 -35.61 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -137.64 158.44 44.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -116.34 150.62 37.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -142.58 179.5 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -109.42 129.38 55.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.9 140.26 91.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.25 31.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.801 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 156.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.74 -46.0 3.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -95.21 90.52 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -107.34 21.75 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.01 131.85 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.0 m -97.35 131.1 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.261 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 7.6 p90 -123.63 157.37 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 9.1 pttt -143.89 123.62 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.7 mtt -98.57 131.27 44.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.457 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 24.7 p90 -143.28 159.0 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.664 ' HB2' ' H1 ' ' A' ' 61' ' ' HOH . 30.7 mtt -91.97 148.83 21.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.9 p -58.56 -15.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.64 -44.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -145.82 151.95 47.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -21.62 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -134.69 61.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 54.1 t -152.21 85.45 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.94 165.06 32.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.816 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.83 -39.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -155.48 168.73 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 30.2 mtm180 -152.01 165.26 35.23 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -174.32 -178.32 44.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.54 141.53 36.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -147.44 179.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 14.7 p-10 -110.83 -41.09 4.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.05 153.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.87 128.71 46.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.35 37.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -60.7 141.25 57.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -101.07 135.43 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -114.62 -179.55 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.94 -47.98 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 tp -53.39 -59.87 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.07 149.7 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -130.51 159.76 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.53 145.07 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.53 134.77 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -121.04 160.06 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.41 160.83 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -120.76 63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -142.12 152.94 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.62 120.94 13.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 64.48 53.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.59 -46.24 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 21.0 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.664 ' H1 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -138.39 118.39 13.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.98 170.7 10.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 1.5 mtmp? -89.63 143.9 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -76.31 -172.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -41.86 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 45.6 t -81.72 133.2 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.99 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.15 -35.87 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -139.25 157.76 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.2 p -124.34 157.65 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -143.14 167.27 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.04 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.55 138.24 25.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.43 148.35 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 95.3 -42.19 2.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -92.24 94.52 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -112.08 6.7 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.9 mp -140.03 130.46 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.34 139.78 31.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' C ' ' A' ' 37' ' ' GLY . 8.3 p90 -114.15 144.1 43.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.6 ttpt -127.36 116.1 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.7 mtm -102.71 121.23 42.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' HA ' ' H1 ' ' A' ' 61' ' ' HOH . 51.2 p90 -146.59 172.13 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.575 ' N ' ' O ' ' A' ' 61' ' ' HOH . 0.1 OUTLIER -98.75 150.38 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -59.98 -14.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.71 -42.01 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.42 153.83 13.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -132.5 63.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 8.5 t -156.59 74.41 4.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.432 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.1 159.36 41.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.64 -43.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 11.2 mttt -151.84 141.19 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 4.9 mtp180 -142.22 170.71 15.2 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' C ' ' CE1' ' A' ' 22' ' ' TYR . . . 174.01 -167.81 40.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.82 154.3 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -161.96 178.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 37.9 t0 -112.13 -46.26 3.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.27 154.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.07 134.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.93 7.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -67.27 155.63 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.9 133.89 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 p -109.39 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.4 -54.58 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 m -115.03 154.27 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.66 157.01 46.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.24 154.52 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.44 124.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.8 159.51 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.66 143.74 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 8.0 p-10 -103.27 69.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 60.8 p -146.24 151.13 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.64 119.82 11.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 63.5 52.81 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.55 -47.83 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 28.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.575 ' O ' ' N ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -135.95 125.96 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.1 m -126.79 -174.46 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.89 151.26 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.5 mtpt -88.74 -170.72 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LYS . 5.4 mp -39.77 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 8' ' ' PRO . 99.5 t -85.88 141.57 35.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.98 54.01 3.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.9 mt -116.47 -35.72 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -123.78 154.27 39.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -139.39 150.85 45.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -90.9 144.32 25.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.88 118.67 68.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.3 157.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.73 -47.23 3.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 89.56 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -108.38 11.4 27.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -117.17 130.27 56.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.2 m -96.26 128.9 43.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' HE2' ' A' ' 24' ' ' MET . 2.1 p90 -127.55 158.34 37.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -144.72 136.67 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.551 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 58.1 mtt -112.96 127.81 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 14.3 p90 -140.65 171.11 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.612 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 14.8 mtt -97.13 149.98 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.7 p -58.97 -14.82 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.59 -42.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.6 148.75 16.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.53 8.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 13.0 t60 -145.34 63.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 52.0 t -158.35 81.26 2.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 155.72 42.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 35' ' ' LYS . 7.8 p -112.73 -32.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -159.53 160.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -147.27 168.83 20.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.99 179.93 44.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.0 m -103.29 158.71 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -165.45 -176.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.8 p30 -107.97 -47.74 3.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.3 p -112.19 152.02 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.11 137.79 22.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 142.72 57.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -94.81 127.35 40.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -112.18 174.16 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.33 -58.43 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -45.42 -62.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 152.13 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -132.54 152.37 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.41 151.29 48.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.13 143.81 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.7 m -134.55 156.95 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 108.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.53 169.25 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -126.89 68.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.5 p -150.28 158.06 43.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.51 126.69 29.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.07 52.35 11.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.81 -48.11 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.353 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 14.2 p-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.612 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -102.66 108.42 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.62 179.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.4 mmtm -93.06 146.84 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -87.25 -169.77 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.31 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 99.1 t -88.53 140.2 29.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.02 52.65 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.0 mt -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.13 163.63 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -119.55 148.82 42.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -129.93 148.77 51.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -96.12 122.18 38.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.62 114.87 22.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.65 24.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.31 157.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 88.55 -41.75 3.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.61 97.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -110.34 15.37 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -128.0 130.74 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -92.84 128.7 38.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -115.66 150.72 36.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 23.3 pttt -136.93 124.35 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 55.3 mtp -111.26 126.01 54.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.59 167.94 20.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.66 ' HB2' ' H2 ' ' A' ' 61' ' ' HOH . 41.8 mtt -91.08 147.99 22.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -57.94 -15.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.45 -45.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.98 154.25 18.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.85 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -142.21 57.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -147.43 78.86 9.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.76 35.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.46 -41.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 25.5 ttmt -148.78 155.12 40.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 31.9 mtm180 -154.89 165.15 37.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.12 -166.37 35.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -115.91 154.68 29.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -171.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 14.4 t0 -114.84 -45.36 2.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.65 133.04 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.06 136.83 22.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.16 35.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.803 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -70.57 141.34 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -75.59 143.26 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -119.75 178.2 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.15 -56.9 4.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 32.3 tp -48.85 -60.48 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.29 156.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -132.33 152.88 51.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.54 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.34 135.33 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.237 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.11 155.89 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.83 147.51 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -109.77 65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.0 p -143.72 158.21 43.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.02 128.91 37.74 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 16.5 ttpt 51.81 56.2 8.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.3 -47.89 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.66 ' H2 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 1.5 pt? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 129.23 55.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -128.83 -179.13 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CG ' ' HG2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -89.37 146.26 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.9 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.75 -72.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 59.1 t -83.06 135.69 44.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 53.54 3.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -115.11 -33.17 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -141.26 166.53 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -127.94 149.29 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -133.09 151.49 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -92.91 127.5 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.92 140.13 95.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.97 34.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.97 144.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.33 -49.44 1.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -93.45 95.43 9.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -111.44 16.0 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 39.4 mt -129.94 131.22 45.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.2 m -94.94 139.81 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.9 p90 -129.19 153.5 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.3 mtp -105.1 123.67 48.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 10.9 p90 -138.29 163.14 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.718 ' CG ' ' H1 ' ' A' ' 61' ' ' HOH . 29.7 mtt -95.95 153.49 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.53 -15.26 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.94 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -146.58 152.29 45.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' HD2' ' H1 ' ' A' ' 62' ' ' HOH . 18.3 Cg_endo -75.04 -21.39 15.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -136.35 63.07 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 51.8 t -151.68 87.29 4.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 162.55 37.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 35' ' ' LYS . 10.3 p -117.64 -42.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -154.57 141.01 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -128.91 172.3 11.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.53 -175.77 45.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 m -106.93 144.9 32.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -174.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -119.96 -41.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.63 143.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 135.24 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 160.55 40.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.48 137.53 57.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.78 131.92 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' VAL . 17.1 p -110.77 175.52 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.92 -53.55 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -55.91 13.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' SER . 20.6 m -124.44 153.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.11 153.99 51.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 9.1 m-85 -128.54 154.27 46.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.97 146.56 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.73 155.89 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.89 150.51 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 14.6 p30 -110.81 66.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 p -144.5 155.03 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.19 124.73 22.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 10.4 mtmm 57.54 55.08 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -96.11 -47.66 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 13.3 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.718 ' H1 ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . 0.469 ' H1 ' ' HD2' ' A' ' 30' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HG2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -135.23 133.83 39.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.98 -179.36 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -87.69 139.87 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -78.18 -170.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -47.28 -63.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 9' ' ' LEU . 88.1 t -85.16 132.7 44.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.18 3.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 16.8 mt -116.55 -35.49 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 2.9 m-85 -143.35 164.3 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 p -127.17 153.64 45.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.02 160.05 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -85.62 137.52 32.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.9 m -82.01 136.2 47.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.37 33.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 158.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.49 -46.31 3.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.71 90.64 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -109.49 16.64 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 38.2 mt -134.66 132.08 38.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.6 m -94.37 130.05 40.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.3 p90 -112.86 149.4 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 10.3 pttt -138.16 123.72 19.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.1 mtt -102.8 123.17 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -137.85 164.57 28.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.681 ' HB2' ' H2 ' ' A' ' 61' ' ' HOH . 0.0 OUTLIER -98.99 153.44 18.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -59.63 -14.41 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.51 -42.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.95 151.1 21.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.4 t-160 -143.02 65.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 54.2 t -155.12 83.94 3.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HB2' HH11 ' A' ' 36' ' ' ARG . 18.3 Cg_endo -74.98 148.95 36.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 35' ' ' LYS . 8.1 p -108.3 -33.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 8.2 mttt -156.5 170.74 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.587 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 93.0 mtm-85 -161.31 165.46 29.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.507 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.08 -179.97 48.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -98.64 144.76 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 -179.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.27 -39.28 4.76 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -125.94 155.39 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.98 136.13 20.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 175.65 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 146.92 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.29 131.79 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -108.92 172.48 6.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.49 -45.81 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 2.1 tp -55.92 -67.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.58 153.95 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -132.76 156.15 47.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 10.5 m-85 -127.38 143.44 51.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.85 132.9 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 m -122.52 149.94 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.07 165.06 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 12.3 p-10 -121.94 64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 25.3 p -145.23 159.64 42.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' OD1' ' HG2' ' A' ' 2' ' ' LYS . 2.7 m-20 -66.85 131.61 46.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 52.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.23 -47.05 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 15.8 p-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.681 ' H2 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 139.45 24.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.4 174.34 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.1 mmtp -99.73 144.46 28.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -167.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.29 -64.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.69 137.66 26.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 54.45 3.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.6 -35.92 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.34 148.52 52.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -123.46 152.62 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 158.28 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -97.86 141.05 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.08 114.42 63.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.75 146.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 100.39 -39.98 2.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.14 109.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.94 2.08 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.08 141.12 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 1.7 p90 -123.45 148.15 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -136.5 122.48 20.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.5 mtm -111.15 122.36 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -144.62 164.51 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.761 ' O ' ' O ' ' A' ' 61' ' ' HOH . 28.2 mtm -91.61 146.13 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -58.89 -14.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.79 -43.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -151.61 152.23 30.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.24 16.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.2 t60 -143.53 70.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 53.3 t -156.59 80.75 3.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 18.0 Cg_endo -75.02 152.78 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 35' ' ' LYS . 9.9 p -116.06 -38.6 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.7 ttmt -160.34 144.48 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 23' ' ' LYS . 4.7 mpp_? -144.52 171.99 13.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.22 -165.48 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.92 157.03 16.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -164.33 -178.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 48.3 t0 -109.19 -48.21 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.55 156.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.53 138.18 24.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.81 39.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.01 138.07 57.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.18 128.52 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -109.71 174.82 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.15 -48.81 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tp -55.84 -67.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 m -111.35 147.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.88 146.27 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.51 159.59 34.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -149.23 139.53 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.54 168.56 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.41 143.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -103.61 62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.4 p -139.18 143.99 38.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.76 119.82 8.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 62.21 55.26 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -87.61 -48.93 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.563 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 36.0 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.761 ' O ' ' O ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 13' ' ' THR . 4.4 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -140.6 128.79 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.15 -174.91 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.23 144.32 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.84 -170.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.97 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.64 138.2 41.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.68 3.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -116.91 -35.46 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -138.12 163.41 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 p -121.77 158.64 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 2.5 mttm -148.12 162.81 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 1' ' ' LEU . 23.2 m -98.83 147.13 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -96.87 131.62 27.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.73 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.49 163.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.12 -47.84 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -92.89 88.86 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -106.66 14.17 27.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 37.5 mt -137.63 131.63 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.3 m -93.69 136.16 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.8 p90 -114.1 149.98 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -135.98 119.58 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.2 mtt -103.29 124.47 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 3.7 p90 -138.98 148.38 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.647 ' HB2' ' H2 ' ' A' ' 61' ' ' HOH . 29.0 mtt -92.63 147.96 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.2 p -59.98 -14.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.42 153.25 30.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.63 17.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.16 60.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.78 90.58 3.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.44 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -110.87 -39.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -174.73 157.21 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 40.9 mtm180 -139.85 174.21 10.74 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.67 -172.43 43.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.6 m -106.15 150.31 25.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.19 -178.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.15 -47.01 3.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.27 156.27 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 135.95 20.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 163.11 36.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.93 138.22 58.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.18 143.2 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 86.7 p -118.74 -171.41 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -87.01 -47.35 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 49' ' ' VAL . 2.2 tp -63.23 -64.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 48' ' ' LEU . 19.4 t -109.84 148.63 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 46' ' ' SER . 3.9 tttp -135.93 160.41 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 13.2 m-85 -132.87 154.0 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.98 130.9 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -112.34 152.27 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.03 150.46 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 46.6 p-10 -110.87 66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 81.8 p -145.0 154.26 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.94 123.89 21.04 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.14 54.03 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.93 -45.58 7.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 27.2 p-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.647 ' H2 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 107.45 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.61 -176.93 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -91.61 147.22 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -81.15 -171.17 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.94 -68.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.43 136.61 37.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 53.97 3.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -116.37 -35.54 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -137.13 159.57 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 p -112.62 150.66 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -146.74 151.4 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.47 117.97 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 m -46.4 140.39 5.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.15 147.13 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.51 -49.7 1.85 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -96.74 96.16 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.26 15.94 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 34.5 mt -126.62 132.28 51.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 m -93.9 133.26 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.636 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 1.6 p90 -129.74 158.87 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -145.7 130.58 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.1 mtp -107.56 135.53 48.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 25' ' ' PHE . 9.9 p90 -148.01 149.14 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB2' ' H1 ' ' A' ' 61' ' ' HOH . 40.2 mtt -88.82 136.99 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.5 t -59.24 -14.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.5 -41.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' H2 ' ' A' ' 62' ' ' HOH . . . -147.64 148.09 29.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -2.36 12.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -149.12 60.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 55.9 t -157.54 84.02 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.42 42.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 35' ' ' LYS . 13.9 p -97.87 -44.95 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -175.3 165.38 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -130.65 170.63 14.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.636 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -175.84 -172.23 40.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.51 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 51.3 m -120.17 145.19 47.2 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.459 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -149.51 178.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -114.1 -36.62 4.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -114.7 139.15 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.19 120.77 72.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.66 36.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.66 147.45 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -95.9 137.56 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.7 p -112.12 173.35 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.17 -45.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.37 -65.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 51' ' ' TYR . 68.0 t -114.03 156.77 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.12 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.1 m-85 -130.57 148.5 52.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.1 t -133.45 129.46 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -120.15 160.4 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.17 167.53 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p30 -127.22 60.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.98 150.3 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.19 119.66 11.29 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.17 52.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.05 -47.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 18.7 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.708 ' H1 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . 0.529 ' H2 ' ' HB2' ' A' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -116.26 111.54 20.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.5 m -126.84 -178.95 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.85 149.4 21.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -86.06 -171.8 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.33 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.8 t -81.75 131.25 58.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.17 3.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mt -116.54 -35.62 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.22 158.74 43.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 p -125.34 149.1 48.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.57 -175.78 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 133.59 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.44 116.04 51.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.46 16.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.58 145.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.76 -39.5 2.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.72 104.98 8.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.31 12.53 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.85 131.39 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 m -91.57 131.53 36.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.7 p90 -117.07 149.88 39.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.5 ttpt -137.21 115.51 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.8 mtm -99.23 128.63 45.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 12.1 p90 -151.35 154.33 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -83.2 148.48 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -59.64 -14.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.37 -42.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.27 145.4 17.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.98 17.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.28 48.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.645 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.4 t -139.65 82.24 18.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 154.46 42.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -112.0 -31.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.4 ptmt -166.78 170.28 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 55.7 mtm180 -159.98 172.05 18.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 171.14 -173.67 44.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.5 m -100.74 156.42 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -162.52 -178.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 4.0 p-10 -110.31 -48.37 3.18 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.8 p -119.14 146.47 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.89 23.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 171.66 17.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -70.6 140.57 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 133.52 35.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -114.61 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.2 -52.69 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -62.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.56 153.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 154.5 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 8.1 m-85 -130.55 144.86 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.4 t -127.45 124.91 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.86 154.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.47 148.48 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -112.65 66.34 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.4 p -144.72 155.34 43.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.39 123.64 20.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.38 54.1 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.68 -48.6 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 21.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -112.63 115.89 29.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.7 -178.72 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.33 146.75 23.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 38.7 mtmt -83.78 -171.55 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.61 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 9' ' ' LEU . 76.3 t -84.74 136.33 39.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 52.63 3.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 16.7 mt -115.73 -34.57 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 m-85 -139.96 165.42 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -124.21 156.51 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 3.4 tttp -140.49 168.79 18.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 m -107.1 117.32 33.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.65 113.02 11.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.99 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.01 158.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 90.16 -39.75 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.22 97.41 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.79 12.62 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -124.06 130.36 52.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 m -97.43 120.16 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -116.17 158.34 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -142.79 131.03 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 46.8 mtt -108.29 123.75 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -144.34 150.9 38.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.608 ' HB2' ' H2 ' ' A' ' 61' ' ' HOH . 48.2 mtt -83.14 147.03 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.78 -15.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.88 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.18 153.46 41.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.7 17.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -133.75 59.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 t -146.77 77.28 11.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.14 42.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.39 -33.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.1 pttp -159.92 174.27 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 56.7 mtm180 -161.95 169.93 20.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.91 -173.96 45.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 m -118.73 152.21 36.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 tt -159.41 -176.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 6.3 t0 -105.17 -46.86 4.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.85 133.43 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.36 134.49 31.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 161.61 38.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' SER . 21.3 tptt -73.46 143.31 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 2.9 m -81.61 138.09 35.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -114.39 172.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.61 -52.58 17.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.33 -66.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 50' ' ' LYS . 88.5 t -111.63 156.17 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -129.92 157.75 41.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -134.96 136.46 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -122.0 129.62 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 m -118.51 153.99 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.13 143.16 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.7 69.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 44.1 p -147.18 158.04 43.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.36 127.49 32.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.86 53.54 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -93.41 -48.02 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 17.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.608 ' H2 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -130.01 129.97 44.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -131.69 -176.31 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -96.83 153.11 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -89.96 -171.2 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 5.1 mp -40.76 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -88.42 139.27 30.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.3 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.78 -35.71 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.82 164.98 26.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 p -123.77 155.54 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.89 158.15 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -98.84 139.0 35.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 60.2 m -81.43 114.42 49.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.61 35.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.1 151.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.59 -39.66 2.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.93 108.68 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -117.78 5.6 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.8 mt -119.68 129.6 54.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.25 136.27 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.4 p90 -125.64 150.65 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 9.5 ttpt -137.83 122.98 19.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.6 mtt -108.91 121.32 44.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -141.02 151.27 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.531 ' H ' ' H1 ' ' A' ' 61' ' ' HOH . 3.2 mtt -91.44 152.46 20.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -60.05 -14.09 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.19 -40.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.65 151.97 27.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -15.13 20.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -141.21 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -152.82 90.29 3.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 162.09 37.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.06 -40.01 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -164.16 140.73 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.532 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 5.3 mtp180 -138.47 171.43 14.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.493 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.63 -166.0 39.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.56 152.92 24.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.12 -173.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.2 -46.97 2.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.31 143.23 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 133.56 22.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 159.97 40.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -57.23 144.03 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -93.7 124.84 37.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.3 p -105.8 176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.44 -59.71 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.66 -60.48 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.52 147.1 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.3 m-85 -124.45 151.12 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.14 141.59 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.8 m -128.72 152.16 48.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.42 149.59 8.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 4.2 p30 -108.18 60.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 32.5 p -141.55 162.39 35.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 2.0 m-20 -70.04 137.84 51.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 23.5 pttt 44.37 47.24 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.23 -47.6 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 17.2 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.531 ' H1 ' ' H ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.28 105.42 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.1 m -123.34 -173.62 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -98.21 153.62 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mtmp? -86.24 -170.02 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -42.25 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 8' ' ' PRO . 76.9 t -84.39 140.8 39.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.6 mt -116.6 -35.21 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -135.35 162.75 31.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -118.64 159.23 23.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -147.81 155.81 42.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 m -110.56 122.95 49.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.26 117.6 28.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.78 156.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 86.6 -49.96 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -116.21 109.03 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.98 14.53 13.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -123.14 130.55 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -87.44 133.49 33.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 108.341 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.6 p90 -125.45 164.07 21.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.9 pttp -149.24 130.07 14.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.4 mtt -104.7 131.17 52.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 18.7 p90 -148.61 148.85 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.64 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 1.0 OUTLIER -79.93 144.14 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -58.67 -15.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.03 -43.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.66 149.52 50.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.13 20.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -140.52 68.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 t -156.95 85.31 2.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 155.12 43.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 35' ' ' LYS . 13.8 p -108.93 -36.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -160.93 175.04 12.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -147.7 171.2 16.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.84 -167.1 36.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 19.1 m -123.3 141.6 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.5 tt -144.59 -178.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 18.5 t0 -112.35 -49.39 2.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.91 130.4 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.0 127.15 92.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.9 39.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -58.44 138.01 56.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -93.26 134.26 35.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 p -109.78 173.13 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.25 -46.67 60.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 27' ' ' VAL . 17.7 tp -55.22 -65.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.1 157.35 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.65 150.42 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.25 148.69 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.9 t -130.02 134.97 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -122.07 162.13 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 139.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -101.73 58.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -137.76 158.27 44.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.7 m-20 -69.63 134.65 48.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 1.2 ptmt 48.93 47.26 21.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -80.03 -47.77 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.64 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -134.12 138.61 45.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 m -140.9 -176.89 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -91.2 141.52 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.26 -172.74 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.43 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -83.63 133.49 46.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.15 3.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 15.9 mt -116.4 -35.5 4.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.9 m-85 -139.18 165.62 26.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -123.67 152.61 41.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -139.37 149.08 43.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -85.42 140.34 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.8 140.12 47.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.56 35.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.88 151.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.83 -48.79 2.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.697 ' HZ2' ' HD2' ' A' ' 40' ' ' ASP . 2.5 mmtt -94.43 93.75 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.05 14.64 22.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.23 130.78 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -92.83 139.86 30.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -121.81 148.28 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.7 tttt -136.01 122.32 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt -104.81 122.97 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 23.8 p90 -141.68 145.65 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.638 ' HB2' ' H1 ' ' A' ' 61' ' ' HOH . 64.3 mtp -82.09 153.59 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.7 t -60.38 -13.72 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.9 -36.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -148.48 153.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.07 18.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -146.27 69.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 42.8 t -151.75 88.43 4.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.4 Cg_endo -75.05 153.46 41.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 35' ' ' LYS . 5.4 p -109.96 -46.87 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.1 mtpm? -144.29 157.66 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 2.5 mpp_? -144.97 172.17 13.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.44 179.93 47.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.5 m -103.74 152.69 21.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.99 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.697 ' HD2' ' HZ2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -117.84 -42.0 2.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -110.56 139.49 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 138.43 20.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.31 40.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 146.84 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -92.82 128.88 38.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.9 p -107.19 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.55 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tp -46.99 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.48 151.62 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.74 158.87 43.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -131.45 160.0 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.41 136.64 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 m -123.08 154.9 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.13 144.71 4.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.19 64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.428 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 9.0 p -139.88 154.38 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.58 124.43 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.47 52.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.24 -45.87 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 18.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.638 ' H1 ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 111.35 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.09 -177.66 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 152.09 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.22 -171.04 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -45.56 -65.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.16 134.54 40.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.0 mt -116.28 -35.8 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -138.41 164.45 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -124.77 152.24 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 -177.82 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 m -117.32 133.2 56.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.89 125.84 90.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.49 150.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 92.58 -49.45 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 97.26 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -114.77 16.09 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.1 131.24 53.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 127.08 42.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.7 p90 -114.72 154.12 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 8.5 pttt -139.61 124.28 18.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mtm -108.0 134.54 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -147.8 163.12 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.604 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 16.4 mtt -92.66 149.53 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ALA . 11.1 p -57.77 -15.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.44 -46.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.91 143.49 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -142.61 54.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.4 t -152.7 87.83 4.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.69 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.72 -43.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 11.8 mttt -151.91 162.08 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 41.3 mtm180 -156.87 162.73 39.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.94 -173.6 45.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.97 157.7 16.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tt -165.53 -176.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -111.61 -47.46 3.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 42' ' ' CYS . 75.6 t -114.32 138.23 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' N ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -88.34 137.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.74 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -68.62 145.02 54.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.25 127.98 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 p -109.55 173.13 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.93 -59.85 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.76 -63.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.44 150.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.24 151.93 51.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -131.49 148.24 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.9 t -134.99 137.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.8 m -115.95 160.07 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.37 144.61 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -105.74 58.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.4 p -134.96 154.69 51.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.84 126.08 27.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 53.04 7.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -97.28 -46.21 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 23.4 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.604 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -108.22 178.09 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 108.341 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.93 150.5 20.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -171.28 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -47.03 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.0 t -85.34 138.38 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 54.05 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 13.6 mt -116.72 -36.11 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 11.8 m-85 -136.61 163.93 29.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 p -124.15 152.78 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.0 160.83 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.6 m -100.32 133.13 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.62 114.67 43.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.253 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.11 144.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.6 -53.07 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.8 92.27 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -96.68 6.95 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.1 mt -137.94 130.37 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.23 141.07 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 21.5 p90 -120.9 155.55 33.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.42 121.93 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 6.9 mtt -106.37 121.26 43.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -139.93 153.06 46.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.7 mtp -90.92 150.39 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.2 p -60.0 -14.14 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.42 -40.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.894 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -150.62 152.27 32.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.38 18.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.0 t-160 -138.3 65.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.894 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 28.1 t -155.9 87.22 3.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.61 41.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 24' ' ' MET . 9.1 p -111.9 -36.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -167.96 149.03 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -142.02 168.33 20.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -176.76 -153.83 11.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 75.6 m -124.3 143.2 50.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -150.83 179.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -107.1 -49.42 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.93 146.11 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.11 134.25 31.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 166.53 29.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -64.73 141.34 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.76 129.95 39.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 p -111.24 173.59 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.21 -46.91 54.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -64.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.26 157.05 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -134.56 152.29 51.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.7 m-85 -128.8 145.5 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.18 141.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 m -123.77 152.41 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.03 140.79 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 108.341 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HB3' HD23 ' A' ' 20' ' ' LEU . 2.1 p-10 -105.26 63.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -142.89 165.62 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 m-20 -68.98 137.78 54.01 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 50.9 pttt 40.03 53.25 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.97 -45.94 10.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 24.8 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.7 m -131.01 -175.7 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -94.9 152.33 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 11.5 mmmt -86.91 -171.15 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -42.93 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 9' ' ' LEU . 73.2 t -83.39 134.37 45.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.06 54.15 3.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 7' ' ' VAL . 32.5 mt -116.44 -35.68 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.16 169.69 17.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 p -127.73 149.99 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 2.8 tttt -134.53 179.47 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -117.45 129.69 55.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.8 121.64 84.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.463 1.77 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.44 138.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 108.83 -57.45 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 96.74 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -106.34 10.85 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.08 131.77 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.94 134.07 34.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 5.4 p90 -122.16 161.43 23.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.5 pttt -145.18 124.7 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.666 ' O ' HG12 ' A' ' 34' ' ' VAL . 33.0 mtp -104.0 121.66 43.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -140.15 148.18 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mtt -85.6 146.74 26.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 48' ' ' LEU . 12.5 p -60.14 -13.87 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.03 -38.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -161.45 150.07 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.72 17.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.4 t-160 -139.58 62.41 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.4 t -157.11 78.58 3.75 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.63 26.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 24' ' ' MET . 6.8 p -90.71 -37.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -172.36 172.12 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 51.5 mtm180 -154.58 167.75 29.06 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.37 -171.49 44.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.581 1.176 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.9 m -105.45 156.06 18.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -160.65 -178.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -108.42 -48.21 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 40' ' ' ASP . 33.5 m -116.93 150.39 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -94.56 133.68 26.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.1 Cg_endo -75.02 161.94 37.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.71 141.98 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.69 145.71 26.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -124.53 174.79 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.32 -55.53 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.93 -64.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' CE1' ' A' ' 51' ' ' TYR . 67.6 t -115.28 161.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -143.03 155.38 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.435 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.2 m-85 -133.43 149.23 51.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.34 155.38 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.8 m -140.02 157.66 45.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 144.88 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -108.13 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -150.21 156.3 41.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.1 123.4 20.17 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 mttt 60.8 51.16 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.21 -45.26 9.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 25.4 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.4 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -124.33 170.58 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.518 ' HG3' ' HD3' ' A' ' 58' ' ' LYS . 13.8 mmtt -89.3 142.91 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.8 -170.66 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.69 -71.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.79 135.57 42.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.2 3.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.0 mt -116.6 -35.45 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -136.7 155.04 50.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -117.13 156.08 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.6 156.21 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 m -90.58 134.55 34.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.73 136.81 51.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.348 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.2 8.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.65 40.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -42.07 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -96.73 93.27 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -110.73 13.3 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -138.87 130.51 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.19 137.21 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.634 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 3.9 p90 -118.45 152.05 36.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.1 pttp -137.82 122.7 18.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.458 ' O ' HG12 ' A' ' 34' ' ' VAL . 18.1 mtt -106.12 119.15 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -137.52 175.99 9.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.5 mtt -108.45 150.9 26.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.8 p -59.07 -14.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.95 -43.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.66 153.05 27.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -9.2 20.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 t-80 -142.25 68.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 32' ' ' VAL . 4.7 t -157.41 78.46 3.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 156.53 42.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -112.78 -41.45 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 42.7 tttt -153.75 153.66 32.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -143.81 169.75 17.18 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.634 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.27 -171.49 44.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.7 m -101.53 150.3 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tp -156.3 174.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -106.79 -48.38 3.53 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -123.17 146.23 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.41 135.46 26.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -72.46 135.88 45.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -82.09 138.21 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.0 p -114.41 178.95 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.946 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -79.57 -49.91 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.51 -56.67 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 m -128.75 152.75 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 158.3 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -130.96 144.36 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.26 130.94 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 m -120.0 155.43 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.247 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 147.09 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -107.53 63.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -141.35 149.64 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.83 122.04 14.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HD3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 59.3 54.16 4.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -88.28 -47.97 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 27.8 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 pttp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.67 -178.11 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -93.76 144.31 25.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -80.71 -174.15 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 9' ' ' LEU . 67.1 t -83.21 134.76 45.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 53.92 3.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD12 HG11 ' A' ' 7' ' ' VAL . 36.1 mt -115.7 -34.99 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.4 m-85 -139.46 155.84 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.6 p -118.59 151.48 37.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 155.83 42.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -92.4 125.57 37.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -63.73 140.22 97.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.1 Cg_endo -75.03 179.46 6.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.2 143.01 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.23 -43.04 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -91.67 89.66 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.69 11.21 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.6 mt -133.26 130.83 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -95.84 130.81 42.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.626 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.3 p90 -112.0 153.97 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 4.9 ttpt -139.92 117.28 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.585 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.3 mtt -97.0 125.18 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -143.88 145.57 32.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.7 mtt -79.98 147.19 31.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.6 p -60.0 -14.24 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -40.52 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.716 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.52 151.79 24.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -21.1 16.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.5 t-80 -128.84 61.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 44.7 t -153.07 84.04 4.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.62 41.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -106.78 -33.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 174.2 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 82.3 mtm-85 -150.11 173.68 13.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.83 -179.18 48.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.589 1.181 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -104.63 154.63 19.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -159.2 178.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.2 p-10 -113.35 -34.07 5.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.9 148.25 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.89 130.32 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 108.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -81.04 143.83 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.89 125.96 49.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -105.51 174.82 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.65 -50.75 27.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -52.67 -64.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 HD12 ' A' ' 48' ' ' LEU . 29.9 m -113.96 148.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 157.22 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.95 136.59 44.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.0 133.97 65.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -119.44 149.55 41.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.16 151.1 19.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -113.87 70.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 35.2 p -148.69 156.05 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 123.8 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.9 53.68 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.38 -47.89 7.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 26.7 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -128.84 -173.78 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -92.96 154.46 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -88.77 -170.83 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -42.61 -67.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.545 HG13 ' HD2' ' A' ' 8' ' ' PRO . 51.0 t -88.72 138.96 29.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.57 3.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 7' ' ' VAL . 12.3 mt -117.24 -35.41 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.61 164.02 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -122.53 157.59 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.92 174.77 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -121.65 123.74 42.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 4.0 m -57.69 121.6 50.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -40.18 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.21 -55.53 4.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -106.75 102.99 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.27 10.08 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.3 mt -123.94 130.32 52.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -84.78 138.97 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 2.0 p90 -133.12 164.26 27.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 12.6 pttt -149.52 128.33 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.563 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtm -102.02 130.9 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 29.6 p90 -148.1 147.97 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.08 144.38 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -60.15 -13.93 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -39.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.31 149.55 32.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.37 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t-80 -142.19 69.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.906 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t -158.75 84.94 2.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.04 151.73 39.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 24' ' ' MET . 11.9 p -102.97 -36.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -166.37 174.78 8.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 29.0 mtm-85 -147.02 170.51 16.96 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 178.01 -165.22 34.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.26 143.75 49.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.3 tt -142.53 -176.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.4 -47.33 3.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.46 137.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 127.02 93.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 163.98 34.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 138.2 55.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.05 132.83 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 p -111.22 172.83 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.95 -43.19 68.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -64.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 m -115.49 155.02 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -138.9 156.57 47.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 7.0 m-85 -133.14 149.15 52.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -128.43 132.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.7 165.79 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.66 156.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.573 ' HB3' HD23 ' A' ' 20' ' ' LEU . 16.1 p-10 -118.81 63.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.1 p -142.67 150.55 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.15 119.86 11.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 65.97 52.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.605 1.191 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.71 -48.07 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 28.8 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -132.16 -175.29 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -93.55 149.45 21.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 mmmt -83.99 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -42.81 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 9' ' ' LEU . 96.1 t -80.97 132.87 55.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.22 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 7' ' ' VAL . 34.0 mt -116.64 -35.61 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -137.64 158.44 44.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -116.34 150.62 37.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -142.58 179.5 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -109.42 129.38 55.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.9 140.26 91.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.25 31.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.801 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 156.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.74 -46.0 3.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -95.21 90.52 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -107.34 21.75 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.01 131.85 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.0 m -97.35 131.1 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.261 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 7.6 p90 -123.63 157.37 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 9.1 pttt -143.89 123.62 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.7 mtt -98.57 131.27 44.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 24.7 p90 -143.28 159.0 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.7 mtt -91.97 148.83 21.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.9 p -58.56 -15.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.64 -44.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.983 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.82 151.95 47.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -21.62 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -134.69 61.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.983 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 54.1 t -152.21 85.45 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.94 165.06 32.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.816 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.83 -39.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -155.48 168.73 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 30.2 mtm180 -152.01 165.26 35.23 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -174.32 -178.32 44.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.54 141.53 36.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -147.44 179.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 14.7 p-10 -110.83 -41.09 4.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.05 153.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.87 128.71 46.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.35 37.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -60.7 141.25 57.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -101.07 135.43 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -114.62 -179.55 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.94 -47.98 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 HG13 ' A' ' 49' ' ' VAL . 1.3 tp -53.39 -59.87 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.607 HG13 HD23 ' A' ' 48' ' ' LEU . 34.8 m -124.07 149.7 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -130.51 159.76 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.53 145.07 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.53 134.77 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -121.04 160.06 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.41 160.83 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -120.76 63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -142.12 152.94 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.62 120.94 13.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 64.48 53.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.59 -46.24 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 21.0 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.98 170.7 10.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 1.5 mtmp? -89.63 143.9 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -76.31 -172.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -41.86 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 9' ' ' LEU . 45.6 t -81.72 133.2 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.99 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 HG11 ' A' ' 7' ' ' VAL . 18.2 mt -116.15 -35.87 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -139.25 157.76 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.2 p -124.34 157.65 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -143.14 167.27 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.04 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.55 138.24 25.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.43 148.35 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.3 -42.19 2.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -92.24 94.52 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -112.08 6.7 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.9 mp -140.03 130.46 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.34 139.78 31.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' C ' ' A' ' 37' ' ' GLY . 8.3 p90 -114.15 144.1 43.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.6 ttpt -127.36 116.1 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.7 mtm -102.71 121.23 42.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 51.2 p90 -146.59 172.13 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.75 150.38 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -59.98 -14.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.71 -42.01 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.42 153.83 13.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t60 -132.5 63.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 32' ' ' VAL . 8.5 t -156.59 74.41 4.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.1 159.36 41.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.64 -43.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.689 ' HA ' HD23 ' A' ' 6' ' ' LEU . 11.2 mttt -151.84 141.19 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 4.9 mtp180 -142.22 170.71 15.2 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.57 ' C ' ' CE1' ' A' ' 22' ' ' TYR . . . 174.01 -167.81 40.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.82 154.3 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -161.96 178.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -112.13 -46.26 3.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.27 154.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.07 134.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.93 7.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -67.27 155.63 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.9 133.89 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 p -109.39 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.4 -54.58 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 m -115.03 154.27 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.66 157.01 46.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.24 154.52 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.44 124.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.8 159.51 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.66 143.74 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 8.0 p-10 -103.27 69.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 60.8 p -146.24 151.13 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.64 119.82 11.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 63.5 52.81 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.55 -47.83 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 28.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.1 m -126.79 -174.46 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.89 151.26 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.5 mtpt -88.74 -170.72 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LYS . 5.4 mp -39.77 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.611 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.5 t -85.88 141.57 35.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.98 54.01 3.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 7' ' ' VAL . 23.9 mt -116.47 -35.72 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -123.78 154.27 39.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -139.39 150.85 45.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -90.9 144.32 25.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.88 118.67 68.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.3 157.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.73 -47.23 3.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 89.56 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -108.38 11.4 27.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 40' ' ' ASP . 58.4 mt -117.17 130.27 56.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.2 m -96.26 128.9 43.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -127.55 158.34 37.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -144.72 136.67 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.1 mtt -112.96 127.81 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 14.3 p90 -140.65 171.11 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.8 mtt -97.13 149.98 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.7 p -58.97 -14.82 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.59 -42.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -157.6 148.75 16.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.53 8.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.0 t60 -145.34 63.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 52.0 t -158.35 81.26 2.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 155.72 42.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 24' ' ' MET . 7.8 p -112.73 -32.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -159.53 160.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -147.27 168.83 20.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.99 179.93 44.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.0 m -103.29 158.71 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -165.45 -176.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.828 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.8 p30 -107.97 -47.74 3.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.3 p -112.19 152.02 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.11 137.79 22.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 142.72 57.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -94.81 127.35 40.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -112.18 174.16 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.33 -58.43 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -45.42 -62.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 152.13 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -132.54 152.37 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.41 151.29 48.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.13 143.81 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.7 m -134.55 156.95 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 108.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.53 169.25 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -126.89 68.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.5 p -150.28 158.06 43.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.51 126.69 29.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.07 52.35 11.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.81 -48.11 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.353 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 14.2 p-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.62 179.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.4 mmtm -93.06 146.84 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -87.25 -169.77 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.31 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -88.53 140.2 29.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.02 52.65 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 7' ' ' VAL . 13.0 mt -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.13 163.63 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -119.55 148.82 42.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -129.93 148.77 51.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -96.12 122.18 38.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.62 114.87 22.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.65 24.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.31 157.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 88.55 -41.75 3.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.61 97.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -110.34 15.37 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -128.0 130.74 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -92.84 128.7 38.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -115.66 150.72 36.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 23.3 pttt -136.93 124.35 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 55.3 mtp -111.26 126.01 54.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.59 167.94 20.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.8 mtt -91.08 147.99 22.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -57.94 -15.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.45 -45.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -160.98 154.25 18.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.85 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -142.21 57.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 32' ' ' VAL . 17.5 t -147.43 78.86 9.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.76 35.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.46 -41.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 25.5 ttmt -148.78 155.12 40.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 31.9 mtm180 -154.89 165.15 37.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.12 -166.37 35.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -115.91 154.68 29.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -171.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 14.4 t0 -114.84 -45.36 2.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.65 133.04 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.06 136.83 22.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.16 35.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.803 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -70.57 141.34 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -75.59 143.26 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -119.75 178.2 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.15 -56.9 4.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 32.3 tp -48.85 -60.48 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.29 156.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -132.33 152.88 51.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.54 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.34 135.33 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.237 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.11 155.89 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.83 147.51 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -109.77 65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.0 p -143.72 158.21 43.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.02 128.91 37.74 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 16.5 ttpt 51.81 56.2 8.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.3 -47.89 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -128.83 -179.13 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CG ' ' HG2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -89.37 146.26 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.9 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.75 -72.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 9' ' ' LEU . 59.1 t -83.06 135.69 44.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 53.54 3.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 7' ' ' VAL . 9.3 mt -115.11 -33.17 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -141.26 166.53 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -127.94 149.29 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -133.09 151.49 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -92.91 127.5 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.92 140.13 95.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.97 34.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.97 144.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.33 -49.44 1.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -93.45 95.43 9.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -111.44 16.0 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 55' ' ' ASN . 39.4 mt -129.94 131.22 45.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.2 m -94.94 139.81 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.9 p90 -129.19 153.5 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 88.3 mtp -105.1 123.67 48.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 10.9 p90 -138.29 163.14 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtt -95.95 153.49 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.53 -15.26 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.94 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.968 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -146.58 152.29 45.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.39 15.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -136.35 63.07 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 51.8 t -151.68 87.29 4.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 162.55 37.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 24' ' ' MET . 10.3 p -117.64 -42.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.57 141.01 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -128.91 172.3 11.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.53 -175.77 45.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 m -106.93 144.9 32.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -174.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p30 -119.96 -41.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.63 143.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 135.24 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 160.55 40.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.48 137.53 57.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.78 131.92 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' VAL . 17.1 p -110.77 175.52 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.92 -53.55 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -55.91 13.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' SER . 20.6 m -124.44 153.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.11 153.99 51.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 9.1 m-85 -128.54 154.27 46.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.97 146.56 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.73 155.89 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.89 150.51 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HD23 ' A' ' 20' ' ' LEU . 14.6 p30 -110.81 66.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 p -144.5 155.03 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.19 124.73 22.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 10.4 mtmm 57.54 55.08 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -96.11 -47.66 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 13.3 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HG2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.98 -179.36 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -87.69 139.87 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -78.18 -170.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -47.28 -63.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 9' ' ' LEU . 88.1 t -85.16 132.7 44.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.18 3.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 7' ' ' VAL . 16.8 mt -116.55 -35.49 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 2.9 m-85 -143.35 164.3 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 p -127.17 153.64 45.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.02 160.05 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -85.62 137.52 32.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.9 m -82.01 136.2 47.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.3 Cg_endo -75.0 164.37 33.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 158.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.49 -46.31 3.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.71 90.64 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -109.49 16.64 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 38.2 mt -134.66 132.08 38.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.6 m -94.37 130.05 40.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.3 p90 -112.86 149.4 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 10.3 pttt -138.16 123.72 19.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.1 mtt -102.8 123.17 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 11.1 p90 -137.85 164.57 28.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.99 153.44 18.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -59.63 -14.41 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.51 -42.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -155.95 151.1 21.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t-160 -143.02 65.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 54.2 t -155.12 83.94 3.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.98 148.95 36.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 24' ' ' MET . 8.1 p -108.3 -33.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 8.2 mttt -156.5 170.74 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.587 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 93.0 mtm-85 -161.31 165.46 29.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.507 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.08 -179.97 48.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -98.64 144.76 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 -179.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.27 -39.28 4.76 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -125.94 155.39 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.98 136.13 20.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 175.65 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 146.92 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.29 131.79 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -108.92 172.48 6.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.49 -45.81 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 2.1 tp -55.92 -67.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.58 153.95 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -132.76 156.15 47.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 10.5 m-85 -127.38 143.44 51.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.85 132.9 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 m -122.52 149.94 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.07 165.06 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 12.3 p-10 -121.94 64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 25.3 p -145.23 159.64 42.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 2' ' ' LYS . 2.7 m-20 -66.85 131.61 46.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 52.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.23 -47.05 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 15.8 p-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.4 174.34 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.1 mmtp -99.73 144.46 28.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -167.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.29 -64.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 8' ' ' PRO . 86.1 t -90.69 137.66 26.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 54.45 3.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.6 -35.92 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.34 148.52 52.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -123.46 152.62 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 158.28 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -97.86 141.05 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.08 114.42 63.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.75 146.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -39.98 2.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.14 109.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.94 2.08 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.8 mp -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.08 141.12 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 1.7 p90 -123.45 148.15 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -136.5 122.48 20.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.513 ' O ' HG12 ' A' ' 34' ' ' VAL . 21.5 mtm -111.15 122.36 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 21.0 p90 -144.62 164.51 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 mtm -91.61 146.13 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -58.89 -14.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.79 -43.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -151.61 152.23 30.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.24 16.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 t60 -143.53 70.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.629 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 53.3 t -156.59 80.75 3.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 18.0 Cg_endo -75.02 152.78 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 24' ' ' MET . 9.9 p -116.06 -38.6 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.7 ttmt -160.34 144.48 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' CG ' ' HA ' ' A' ' 23' ' ' LYS . 4.7 mpp_? -144.52 171.99 13.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.22 -165.48 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.92 157.03 16.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -164.33 -178.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' HD13 ' A' ' 20' ' ' LEU . 48.3 t0 -109.19 -48.21 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.55 156.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -92.53 138.18 24.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.341 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.3 Cg_endo -74.94 160.81 39.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.01 138.07 57.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.18 128.52 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -109.71 174.82 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.15 -48.81 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD23 HG13 ' A' ' 49' ' ' VAL . 2.2 tp -55.84 -67.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG13 HD23 ' A' ' 48' ' ' LEU . 21.5 m -111.35 147.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.88 146.27 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.51 159.59 34.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -149.23 139.53 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.54 168.56 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.41 143.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -103.61 62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.4 p -139.18 143.99 38.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.76 119.82 8.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 62.21 55.26 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -87.61 -48.93 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 36.0 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.15 -174.91 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.23 144.32 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.84 -170.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.97 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.507 HG13 ' HD2' ' A' ' 8' ' ' PRO . 97.3 t -83.64 138.2 41.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 53.68 3.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 12.5 mt -116.91 -35.46 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -138.12 163.41 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 p -121.77 158.64 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 2.5 mttm -148.12 162.81 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -98.83 147.13 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -96.87 131.62 27.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.73 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.49 163.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.12 -47.84 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -92.89 88.86 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -106.66 14.17 27.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 37.5 mt -137.63 131.63 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.3 m -93.69 136.16 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.8 p90 -114.1 149.98 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -135.98 119.58 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 48.2 mtt -103.29 124.47 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 3.7 p90 -138.98 148.38 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.0 mtt -92.63 147.96 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.2 p -59.98 -14.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.884 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.42 153.25 30.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.63 17.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.16 60.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.884 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 52.9 t -151.78 90.58 3.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.44 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 7.7 p -110.87 -39.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -174.73 157.21 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 40.9 mtm180 -139.85 174.21 10.74 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.67 -172.43 43.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.6 m -106.15 150.31 25.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.19 -178.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.15 -47.01 3.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.27 156.27 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 135.95 20.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 163.11 36.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.93 138.22 58.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.18 143.2 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 86.7 p -118.74 -171.41 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -87.01 -47.35 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 HG23 ' A' ' 49' ' ' VAL . 2.2 tp -63.23 -64.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.812 HG23 HD23 ' A' ' 48' ' ' LEU . 19.4 t -109.84 148.63 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 46' ' ' SER . 3.9 tttp -135.93 160.41 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 13.2 m-85 -132.87 154.0 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.98 130.9 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -112.34 152.27 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.03 150.46 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 46.6 p-10 -110.87 66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 81.8 p -145.0 154.26 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.94 123.89 21.04 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.14 54.03 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.93 -45.58 7.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 27.2 p-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.61 -176.93 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -91.61 147.22 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -81.15 -171.17 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.94 -68.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' ' 8' ' ' PRO . 90.4 t -85.43 136.61 37.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.97 3.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -116.37 -35.54 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -137.13 159.57 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 p -112.62 150.66 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -146.74 151.4 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.47 117.97 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 m -46.4 140.39 5.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.15 147.13 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.51 -49.7 1.85 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -96.74 96.16 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.26 15.94 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 40' ' ' ASP . 34.5 mt -126.62 132.28 51.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 m -93.9 133.26 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.636 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 1.6 p90 -129.74 158.87 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -145.7 130.58 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.1 mtp -107.56 135.53 48.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.9 p90 -148.01 149.14 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.2 mtt -88.82 136.99 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.5 t -59.24 -14.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.5 -41.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -147.64 148.09 29.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -2.36 12.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -149.12 60.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 55.9 t -157.54 84.02 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.42 42.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.87 -44.95 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 165.38 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -130.65 170.63 14.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.636 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -175.84 -172.23 40.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.51 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 51.3 m -120.17 145.19 47.2 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -149.51 178.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.9 p-10 -114.1 -36.62 4.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -114.7 139.15 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.19 120.77 72.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.66 36.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.66 147.45 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -95.9 137.56 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.7 p -112.12 173.35 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.17 -45.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.37 -65.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' CE1' ' A' ' 51' ' ' TYR . 68.0 t -114.03 156.77 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.12 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.1 m-85 -130.57 148.5 52.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.1 t -133.45 129.46 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -120.15 160.4 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.17 167.53 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p30 -127.22 60.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.98 150.3 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.19 119.66 11.29 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.17 52.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.05 -47.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 18.7 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.7 tttp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.5 m -126.84 -178.95 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.85 149.4 21.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -86.06 -171.8 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.33 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 9' ' ' LEU . 53.8 t -81.75 131.25 58.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.17 3.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.556 HD12 HG11 ' A' ' 7' ' ' VAL . 10.9 mt -116.54 -35.62 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.22 158.74 43.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 p -125.34 149.1 48.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.57 -175.78 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 133.59 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.44 116.04 51.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.46 16.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.58 145.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 100.76 -39.5 2.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.72 104.98 8.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.31 12.53 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.85 131.39 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 m -91.57 131.53 36.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.7 p90 -117.07 149.88 39.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.5 ttpt -137.21 115.51 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.474 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.8 mtm -99.23 128.63 45.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 12.1 p90 -151.35 154.33 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -83.2 148.48 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -59.64 -14.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.37 -42.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.915 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.27 145.4 17.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.98 17.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.28 48.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.645 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 12.4 t -139.65 82.24 18.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 154.46 42.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 35' ' ' LYS . 12.4 p -112.0 -31.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.4 ptmt -166.78 170.28 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 55.7 mtm180 -159.98 172.05 18.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 171.14 -173.67 44.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.5 m -100.74 156.42 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -162.52 -178.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 4.0 p-10 -110.31 -48.37 3.18 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.8 p -119.14 146.47 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.89 23.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 171.66 17.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -70.6 140.57 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 133.52 35.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -114.61 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.2 -52.69 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -62.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.56 153.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 154.5 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 8.1 m-85 -130.55 144.86 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.4 t -127.45 124.91 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.86 154.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.47 148.48 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -112.65 66.34 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.4 p -144.72 155.34 43.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.39 123.64 20.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.38 54.1 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.68 -48.6 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 21.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 pttp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.7 -178.72 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.33 146.75 23.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 38.7 mtmt -83.78 -171.55 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.61 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG11 HD12 ' A' ' 9' ' ' LEU . 76.3 t -84.74 136.33 39.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 52.63 3.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.596 HD12 HG11 ' A' ' 7' ' ' VAL . 16.7 mt -115.73 -34.57 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 m-85 -139.96 165.42 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -124.21 156.51 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 3.4 tttp -140.49 168.79 18.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 m -107.1 117.32 33.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.65 113.02 11.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.99 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.01 158.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 90.16 -39.75 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.22 97.41 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.79 12.62 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -124.06 130.36 52.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 m -97.43 120.16 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -116.17 158.34 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -142.79 131.03 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 46.8 mtt -108.29 123.75 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 40.1 p90 -144.34 150.9 38.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mtt -83.14 147.03 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.78 -15.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.88 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.18 153.46 41.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.7 17.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -133.75 59.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 17.9 t -146.77 77.28 11.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.99 155.14 42.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.39 -33.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.1 pttp -159.92 174.27 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 56.7 mtm180 -161.95 169.93 20.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.91 -173.96 45.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 m -118.73 152.21 36.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 tt -159.41 -176.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 6.3 t0 -105.17 -46.86 4.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.85 133.43 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.36 134.49 31.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 161.61 38.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' SER . 21.3 tptt -73.46 143.31 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 2.9 m -81.61 138.09 35.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -114.39 172.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.61 -52.58 17.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 49' ' ' VAL . 6.5 tp -54.33 -66.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 ' HG ' ' A' ' 48' ' ' LEU . 88.5 t -111.63 156.17 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.92 157.75 41.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.434 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.7 m-85 -134.96 136.46 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -122.0 129.62 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 m -118.51 153.99 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.13 143.16 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.7 69.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 44.1 p -147.18 158.04 43.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.36 127.49 32.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.86 53.54 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -93.41 -48.02 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 17.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -131.69 -176.31 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -96.83 153.11 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -89.96 -171.2 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 5.1 mp -40.76 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 8' ' ' PRO . 85.3 t -88.42 139.27 30.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.99 54.3 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 HG11 ' A' ' 7' ' ' VAL . 13.6 mt -116.78 -35.71 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.82 164.98 26.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 p -123.77 155.54 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.89 158.15 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -98.84 139.0 35.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.2 m -81.43 114.42 49.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.61 35.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.1 151.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.59 -39.66 2.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.93 108.68 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -117.78 5.6 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 55' ' ' ASN . 8.8 mt -119.68 129.6 54.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.25 136.27 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.4 p90 -125.64 150.65 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 9.5 ttpt -137.83 122.98 19.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 mtt -108.91 121.32 44.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -141.02 151.27 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -91.44 152.46 20.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -60.05 -14.09 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.19 -40.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.927 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.65 151.97 27.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -15.13 20.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.9 t-80 -141.21 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.927 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 16.5 t -152.82 90.29 3.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 162.09 37.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -118.06 -40.01 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -164.16 140.73 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.532 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 5.3 mtp180 -138.47 171.43 14.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.493 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.63 -166.0 39.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.56 152.92 24.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.12 -173.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.5 ' OD1' HG13 ' A' ' 41' ' ' VAL . 4.3 p-10 -116.2 -46.97 2.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG13 ' OD1' ' A' ' 40' ' ' ASP . 30.5 m -112.31 143.23 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 133.56 22.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 159.97 40.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -57.23 144.03 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -93.7 124.84 37.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.3 p -105.8 176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.44 -59.71 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.66 -60.48 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.52 147.1 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.3 m-85 -124.45 151.12 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.14 141.59 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.8 m -128.72 152.16 48.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.42 149.59 8.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.5 p-10 -108.18 60.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 32.5 p -141.55 162.39 35.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 2.0 m-20 -70.04 137.84 51.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 23.5 pttt 44.37 47.24 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.23 -47.6 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 17.2 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.1 m -123.34 -173.62 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -98.21 153.62 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mtmp? -86.24 -170.02 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.803 HD23 ' HB2' ' A' ' 35' ' ' LYS . 2.3 mp -42.25 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.608 HG13 ' HD2' ' A' ' 8' ' ' PRO . 76.9 t -84.39 140.8 39.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 7' ' ' VAL . 18.6 mt -116.6 -35.21 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -135.35 162.75 31.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -118.64 159.23 23.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -147.81 155.81 42.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 m -110.56 122.95 49.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.26 117.6 28.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.78 156.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.6 -49.96 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -116.21 109.03 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.98 14.53 13.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 40' ' ' ASP . 3.3 mp -123.14 130.55 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -87.44 133.49 33.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 108.341 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.6 p90 -125.45 164.07 21.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.9 pttp -149.24 130.07 14.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.4 mtt -104.7 131.17 52.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 18.7 p90 -148.61 148.85 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.93 144.14 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -58.67 -15.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.03 -43.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.938 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -142.66 149.52 50.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.13 20.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.2 t60 -140.52 68.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.938 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 4.3 t -156.95 85.31 2.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 155.12 43.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 24' ' ' MET . 13.8 p -108.93 -36.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.803 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -160.93 175.04 12.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -147.7 171.2 16.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.84 -167.1 36.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 19.1 m -123.3 141.6 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.5 tt -144.59 -178.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.638 ' O ' HD13 ' A' ' 20' ' ' LEU . 18.5 t0 -112.35 -49.39 2.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.91 130.4 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.0 127.15 92.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.9 39.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -58.44 138.01 56.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -93.26 134.26 35.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 p -109.78 173.13 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.25 -46.67 60.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 tp -55.22 -65.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.1 157.35 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.65 150.42 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.25 148.69 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.9 t -130.02 134.97 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -122.07 162.13 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 139.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -101.73 58.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -137.76 158.27 44.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.7 m-20 -69.63 134.65 48.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 1.2 ptmt 48.93 47.26 21.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -80.03 -47.77 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 m -140.9 -176.89 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -91.2 141.52 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.26 -172.74 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.43 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 98.6 t -83.63 133.49 46.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.96 54.15 3.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 15.9 mt -116.4 -35.5 4.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.9 m-85 -139.18 165.62 26.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -123.67 152.61 41.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -139.37 149.08 43.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -85.42 140.34 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.8 140.12 47.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.56 35.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.88 151.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.83 -48.79 2.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.43 93.75 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.05 14.64 22.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.23 130.78 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -92.83 139.86 30.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -121.81 148.28 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.7 tttt -136.01 122.32 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt -104.81 122.97 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 23.8 p90 -141.68 145.65 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.3 mtp -82.09 153.59 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.7 t -60.38 -13.72 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.9 -36.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.48 153.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.07 18.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -146.27 69.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 42.8 t -151.75 88.43 4.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.05 153.46 41.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 35' ' ' LYS . 5.4 p -109.96 -46.87 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.1 mtpm? -144.29 157.66 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 2.5 mpp_? -144.97 172.17 13.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.44 179.93 47.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.5 m -103.74 152.69 21.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.99 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -117.84 -42.0 2.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -110.56 139.49 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 138.43 20.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.31 40.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 146.84 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -92.82 128.88 38.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.9 p -107.19 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.55 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tp -46.99 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.48 151.62 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.74 158.87 43.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -131.45 160.0 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.41 136.64 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 m -123.08 154.9 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.13 144.71 4.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.19 64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.428 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 9.0 p -139.88 154.38 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.58 124.43 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.47 52.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.24 -45.87 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 18.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.09 -177.66 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 152.09 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.22 -171.04 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 35' ' ' LYS . 2.8 mp -45.56 -65.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.654 HG11 HD12 ' A' ' 9' ' ' LEU . 92.7 t -85.16 134.54 40.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.654 HD12 HG11 ' A' ' 7' ' ' VAL . 27.0 mt -116.28 -35.8 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -138.41 164.45 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -124.77 152.24 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 -177.82 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 m -117.32 133.2 56.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.89 125.84 90.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.49 150.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 92.58 -49.45 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 97.26 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -114.77 16.09 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.1 131.24 53.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 127.08 42.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.7 p90 -114.72 154.12 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 8.5 pttt -139.61 124.28 18.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mtm -108.0 134.54 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -147.8 163.12 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.4 mtt -92.66 149.53 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ALA . 11.1 p -57.77 -15.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.44 -46.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.91 143.49 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 18.3 Cg_endo -74.95 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.5 t-80 -142.61 54.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 46.4 t -152.7 87.83 4.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.69 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.72 -43.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' HD23 ' A' ' 6' ' ' LEU . 11.8 mttt -151.91 162.08 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 41.3 mtm180 -156.87 162.73 39.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.94 -173.6 45.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.97 157.7 16.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tt -165.53 -176.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -111.61 -47.46 3.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.32 138.23 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 137.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.74 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -68.62 145.02 54.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.25 127.98 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 p -109.55 173.13 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.93 -59.85 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -46.76 -63.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.44 150.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.24 151.93 51.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -131.49 148.24 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.9 t -134.99 137.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.8 m -115.95 160.07 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.37 144.61 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -105.74 58.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.4 p -134.96 154.69 51.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.84 126.08 27.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 53.04 7.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -97.28 -46.21 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 23.4 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 13' ' ' THR . 1.3 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.66 102.83 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -108.22 178.09 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 108.341 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.93 150.5 20.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -171.28 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -47.03 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.0 t -85.34 138.38 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 54.05 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 13.6 mt -116.72 -36.11 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 11.8 m-85 -136.61 163.93 29.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 p -124.15 152.78 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.0 160.83 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 1' ' ' LEU . 39.6 m -100.32 133.13 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.62 114.67 43.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.253 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.11 144.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.6 -53.07 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.8 92.27 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -96.68 6.95 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.1 mt -137.94 130.37 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.23 141.07 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 21.5 p90 -120.9 155.55 33.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.42 121.93 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 6.9 mtt -106.37 121.26 43.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -139.93 153.06 46.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.7 mtp -90.92 150.39 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.2 p -60.0 -14.14 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.42 -40.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.894 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -150.62 152.27 32.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.38 18.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.0 t-160 -138.3 65.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.894 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 28.1 t -155.9 87.22 3.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.61 41.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 24' ' ' MET . 9.1 p -111.9 -36.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -167.96 149.03 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -142.02 168.33 20.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -176.76 -153.83 11.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 75.6 m -124.3 143.2 50.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -150.83 179.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -107.1 -49.42 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.93 146.11 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.11 134.25 31.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 166.53 29.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -64.73 141.34 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.76 129.95 39.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 p -111.24 173.59 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.21 -46.91 54.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -64.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.26 157.05 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -134.56 152.29 51.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.7 m-85 -128.8 145.5 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.18 141.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 m -123.77 152.41 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.03 140.79 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 108.341 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HB3' HD23 ' A' ' 20' ' ' LEU . 2.1 p-10 -105.26 63.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -142.89 165.62 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 m-20 -68.98 137.78 54.01 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 50.9 pttt 40.03 53.25 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.97 -45.94 10.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 24.8 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.539 HD11 ' O ' ' A' ' 19' ' ' ASN . 3.7 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.79 109.29 16.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.7 m -131.01 -175.7 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -94.9 152.33 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 11.5 mmmt -86.91 -171.15 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -42.93 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 9' ' ' LEU . 73.2 t -83.39 134.37 45.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.06 54.15 3.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 7' ' ' VAL . 32.5 mt -116.44 -35.68 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.16 169.69 17.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 p -127.73 149.99 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 2.8 tttt -134.53 179.47 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -117.45 129.69 55.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.8 121.64 84.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.463 1.77 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.44 138.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 108.83 -57.45 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 96.74 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.539 ' O ' HD11 ' A' ' 1' ' ' LEU . 25.7 m-20 -106.34 10.85 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.08 131.77 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.94 134.07 34.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 5.4 p90 -122.16 161.43 23.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.5 pttt -145.18 124.7 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.666 ' O ' HG12 ' A' ' 34' ' ' VAL . 33.0 mtp -104.0 121.66 43.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -140.15 148.18 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mtt -85.6 146.74 26.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 48' ' ' LEU . 12.5 p -60.14 -13.87 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.03 -38.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -161.45 150.07 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.72 17.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.4 t-160 -139.58 62.41 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.4 t -157.11 78.58 3.75 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.63 26.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 24' ' ' MET . 6.8 p -90.71 -37.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -172.36 172.12 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 51.5 mtm180 -154.58 167.75 29.06 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.37 -171.49 44.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.581 1.176 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.9 m -105.45 156.06 18.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -160.65 -178.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -108.42 -48.21 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 40' ' ' ASP . 33.5 m -116.93 150.39 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -94.56 133.68 26.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.1 Cg_endo -75.02 161.94 37.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.71 141.98 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.69 145.71 26.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -124.53 174.79 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.32 -55.53 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.93 -64.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' CE1' ' A' ' 51' ' ' TYR . 67.6 t -115.28 161.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -143.03 155.38 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.435 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.2 m-85 -133.43 149.23 51.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.34 155.38 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.8 m -140.02 157.66 45.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 144.88 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -108.13 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -150.21 156.3 41.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.1 123.4 20.17 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 mttt 60.8 51.16 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.21 -45.26 9.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 25.4 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 19' ' ' ASN . 5.0 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -124.78 126.18 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -124.33 170.58 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.518 ' HG3' ' HD3' ' A' ' 58' ' ' LYS . 13.8 mmtt -89.3 142.91 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.8 -170.66 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.69 -71.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.79 135.57 42.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.2 3.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.0 mt -116.6 -35.45 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -136.7 155.04 50.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -117.13 156.08 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.6 156.21 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 m -90.58 134.55 34.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.73 136.81 51.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.348 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.2 8.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.65 40.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -42.07 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -96.73 93.27 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.591 ' HA ' HD23 ' A' ' 1' ' ' LEU . 5.5 m-20 -110.73 13.3 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -138.87 130.51 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.19 137.21 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.634 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 3.9 p90 -118.45 152.05 36.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.1 pttp -137.82 122.7 18.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.458 ' O ' HG12 ' A' ' 34' ' ' VAL . 18.1 mtt -106.12 119.15 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -137.52 175.99 9.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.5 mtt -108.45 150.9 26.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.8 p -59.07 -14.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.95 -43.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.66 153.05 27.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -9.2 20.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 t-80 -142.25 68.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 32' ' ' VAL . 4.7 t -157.41 78.46 3.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 156.53 42.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -112.78 -41.45 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 42.7 tttt -153.75 153.66 32.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -143.81 169.75 17.18 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.634 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.27 -171.49 44.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.7 m -101.53 150.3 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tp -156.3 174.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -106.79 -48.38 3.53 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -123.17 146.23 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.41 135.46 26.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -72.46 135.88 45.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -82.09 138.21 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.0 p -114.41 178.95 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.946 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -79.57 -49.91 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.51 -56.67 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 m -128.75 152.75 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 158.3 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -130.96 144.36 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.26 130.94 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 m -120.0 155.43 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.247 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 147.09 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -107.53 63.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -141.35 149.64 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.83 122.04 14.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HD3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 59.3 54.16 4.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -88.28 -47.97 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 27.8 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -108.23 120.48 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.67 -178.11 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -93.76 144.31 25.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -80.71 -174.15 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 9' ' ' LEU . 67.1 t -83.21 134.76 45.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 53.92 3.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD12 HG11 ' A' ' 7' ' ' VAL . 36.1 mt -115.7 -34.99 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.4 m-85 -139.46 155.84 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.6 p -118.59 151.48 37.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 155.83 42.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -92.4 125.57 37.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -63.73 140.22 97.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.1 Cg_endo -75.03 179.46 6.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.2 143.01 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.23 -43.04 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -91.67 89.66 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.69 11.21 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.6 mt -133.26 130.83 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -95.84 130.81 42.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.626 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.3 p90 -112.0 153.97 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 4.9 ttpt -139.92 117.28 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.585 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.3 mtt -97.0 125.18 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -143.88 145.57 32.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 1.7 mtt -79.98 147.19 31.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.6 p -60.0 -14.24 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -40.52 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.716 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.52 151.79 24.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -21.1 16.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.5 t-80 -128.84 61.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 44.7 t -153.07 84.04 4.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.62 41.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -106.78 -33.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 174.2 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 82.3 mtm-85 -150.11 173.68 13.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.83 -179.18 48.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.589 1.181 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -104.63 154.63 19.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -159.2 178.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.2 p-10 -113.35 -34.07 5.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.9 148.25 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.89 130.32 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 108.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -81.04 143.83 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.89 125.96 49.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -105.51 174.82 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.65 -50.75 27.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -52.67 -64.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 HD12 ' A' ' 48' ' ' LEU . 29.9 m -113.96 148.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 157.22 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.95 136.59 44.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.0 133.97 65.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -119.44 149.55 41.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.16 151.1 19.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -113.87 70.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 35.2 p -148.69 156.05 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 123.8 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.9 53.68 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.38 -47.89 7.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 26.7 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.575 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -86.15 109.81 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -128.84 -173.78 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -92.96 154.46 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -88.77 -170.83 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -42.61 -67.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.545 HG13 ' HD2' ' A' ' 8' ' ' PRO . 51.0 t -88.72 138.96 29.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.57 3.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 7' ' ' VAL . 12.3 mt -117.24 -35.41 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.61 164.02 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -122.53 157.59 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.92 174.77 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -121.65 123.74 42.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 4.0 m -57.69 121.6 50.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -40.18 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.21 -55.53 4.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -106.75 102.99 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.27 10.08 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.3 mt -123.94 130.32 52.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -84.78 138.97 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 2.0 p90 -133.12 164.26 27.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 12.6 pttt -149.52 128.33 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.563 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtm -102.02 130.9 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 29.6 p90 -148.1 147.97 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.701 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 0.0 OUTLIER -83.08 144.38 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -60.15 -13.93 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -39.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.31 149.55 32.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 62' ' ' HOH . 18.4 Cg_endo -74.98 -13.37 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t-80 -142.19 69.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.906 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t -158.75 84.94 2.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.04 151.73 39.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 24' ' ' MET . 11.9 p -102.97 -36.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -166.37 174.78 8.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 29.0 mtm-85 -147.02 170.51 16.96 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 178.01 -165.22 34.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.26 143.75 49.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.3 tt -142.53 -176.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.4 -47.33 3.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.46 137.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 127.02 93.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 163.98 34.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 138.2 55.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.05 132.83 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 p -111.22 172.83 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.95 -43.19 68.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -64.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 m -115.49 155.02 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -138.9 156.57 47.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 7.0 m-85 -133.14 149.15 52.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -128.43 132.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.7 165.79 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.66 156.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.573 ' HB3' HD23 ' A' ' 20' ' ' LEU . 16.1 p-10 -118.81 63.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.1 p -142.67 150.55 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.15 119.86 11.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 65.97 52.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.605 1.191 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.71 -48.07 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 28.8 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.701 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HOH . . . . . 0.42 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 13' ' ' THR . 2.3 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -114.68 108.45 16.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -132.16 -175.29 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -93.55 149.45 21.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 mmmt -83.99 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -42.81 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 9' ' ' LEU . 96.1 t -80.97 132.87 55.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.22 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 7' ' ' VAL . 34.0 mt -116.64 -35.61 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -137.64 158.44 44.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -116.34 150.62 37.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -142.58 179.5 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 3.4 m -109.42 129.38 55.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.9 140.26 91.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.25 31.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.801 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 156.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.74 -46.0 3.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -95.21 90.52 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -107.34 21.75 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.01 131.85 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.0 m -97.35 131.1 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.261 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 7.6 p90 -123.63 157.37 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 9.1 pttt -143.89 123.62 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.7 mtt -98.57 131.27 44.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 24.7 p90 -143.28 159.0 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 30.7 mtt -91.97 148.83 21.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.9 p -58.56 -15.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.64 -44.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.983 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.82 151.95 47.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -21.62 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -134.69 61.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.983 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 54.1 t -152.21 85.45 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.94 165.06 32.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.816 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.83 -39.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -155.48 168.73 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 30.2 mtm180 -152.01 165.26 35.23 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -174.32 -178.32 44.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.54 141.53 36.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -147.44 179.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 14.7 p-10 -110.83 -41.09 4.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.05 153.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.87 128.71 46.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.35 37.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -60.7 141.25 57.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -101.07 135.43 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -114.62 -179.55 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.94 -47.98 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 HG13 ' A' ' 49' ' ' VAL . 1.3 tp -53.39 -59.87 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.607 HG13 HD23 ' A' ' 48' ' ' LEU . 34.8 m -124.07 149.7 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -130.51 159.76 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.53 145.07 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.53 134.77 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -121.04 160.06 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.41 160.83 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -120.76 63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -142.12 152.94 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.62 120.94 13.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 64.48 53.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.59 -46.24 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 21.0 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.654 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.438 HD11 ' OD1' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -138.39 118.39 13.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.98 170.7 10.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 1.5 mtmp? -89.63 143.9 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -76.31 -172.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -41.86 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 9' ' ' LEU . 45.6 t -81.72 133.2 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.99 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 HG11 ' A' ' 7' ' ' VAL . 18.2 mt -116.15 -35.87 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -139.25 157.76 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.2 p -124.34 157.65 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -143.14 167.27 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.04 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.55 138.24 25.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.43 148.35 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.3 -42.19 2.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -92.24 94.52 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' OD1' HD11 ' A' ' 1' ' ' LEU . 38.4 m-20 -112.08 6.7 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.9 mp -140.03 130.46 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.34 139.78 31.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' C ' ' A' ' 37' ' ' GLY . 8.3 p90 -114.15 144.1 43.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.6 ttpt -127.36 116.1 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.7 mtm -102.71 121.23 42.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 61' ' ' HOH . 51.2 p90 -146.59 172.13 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.575 ' N ' ' O ' ' A' ' 61' ' ' HOH . 0.1 OUTLIER -98.75 150.38 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -59.98 -14.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.71 -42.01 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.42 153.83 13.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t60 -132.5 63.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 32' ' ' VAL . 8.5 t -156.59 74.41 4.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.1 159.36 41.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.64 -43.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.689 ' HA ' HD23 ' A' ' 6' ' ' LEU . 11.2 mttt -151.84 141.19 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 4.9 mtp180 -142.22 170.71 15.2 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' C ' ' CE1' ' A' ' 22' ' ' TYR . . . 174.01 -167.81 40.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.82 154.3 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -161.96 178.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -112.13 -46.26 3.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.27 154.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.07 134.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.93 7.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -67.27 155.63 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.9 133.89 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 p -109.39 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.4 -54.58 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 m -115.03 154.27 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.66 157.01 46.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.24 154.52 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.44 124.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.8 159.51 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.66 143.74 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 8.0 p-10 -103.27 69.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 60.8 p -146.24 151.13 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.64 119.82 11.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 63.5 52.81 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.55 -47.83 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 28.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.575 ' O ' ' N ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 13' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -135.95 125.96 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.1 m -126.79 -174.46 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.89 151.26 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.5 mtpt -88.74 -170.72 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LYS . 5.4 mp -39.77 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.611 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.5 t -85.88 141.57 35.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.98 54.01 3.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 7' ' ' VAL . 23.9 mt -116.47 -35.72 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -123.78 154.27 39.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -139.39 150.85 45.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 1' ' ' LEU . 2.8 m -90.9 144.32 25.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.88 118.67 68.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.3 157.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.73 -47.23 3.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 89.56 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -108.38 11.4 27.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 40' ' ' ASP . 58.4 mt -117.17 130.27 56.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.2 m -96.26 128.9 43.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.1 p90 -127.55 158.34 37.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -144.72 136.67 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.1 mtt -112.96 127.81 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 14.3 p90 -140.65 171.11 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.612 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 14.8 mtt -97.13 149.98 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.7 p -58.97 -14.82 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.59 -42.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -157.6 148.75 16.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.53 8.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.0 t60 -145.34 63.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 52.0 t -158.35 81.26 2.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 155.72 42.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 24' ' ' MET . 7.8 p -112.73 -32.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -159.53 160.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -147.27 168.83 20.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.99 179.93 44.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.0 m -103.29 158.71 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -165.45 -176.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.828 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.8 p30 -107.97 -47.74 3.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.3 p -112.19 152.02 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.11 137.79 22.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 142.72 57.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -94.81 127.35 40.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -112.18 174.16 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.33 -58.43 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -45.42 -62.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 152.13 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -132.54 152.37 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.41 151.29 48.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.13 143.81 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.7 m -134.55 156.95 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 108.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.53 169.25 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -126.89 68.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.5 p -150.28 158.06 43.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.51 126.69 29.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.07 52.35 11.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.81 -48.11 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.353 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 14.2 p-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.612 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -102.66 108.42 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.62 179.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.4 mmtm -93.06 146.84 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -87.25 -169.77 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.31 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -88.53 140.2 29.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.02 52.65 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 7' ' ' VAL . 13.0 mt -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.13 163.63 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -119.55 148.82 42.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -129.93 148.77 51.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -96.12 122.18 38.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.62 114.87 22.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.65 24.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.31 157.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 88.55 -41.75 3.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.61 97.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -110.34 15.37 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -128.0 130.74 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -92.84 128.7 38.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -115.66 150.72 36.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 23.3 pttt -136.93 124.35 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 55.3 mtp -111.26 126.01 54.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.59 167.94 20.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 41.8 mtt -91.08 147.99 22.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -57.94 -15.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.45 -45.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -160.98 154.25 18.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.85 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -142.21 57.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 32' ' ' VAL . 17.5 t -147.43 78.86 9.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.76 35.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.46 -41.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 25.5 ttmt -148.78 155.12 40.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 31.9 mtm180 -154.89 165.15 37.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.12 -166.37 35.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -115.91 154.68 29.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -171.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 14.4 t0 -114.84 -45.36 2.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.65 133.04 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.06 136.83 22.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.16 35.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.803 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -70.57 141.34 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -75.59 143.26 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -119.75 178.2 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.15 -56.9 4.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 32.3 tp -48.85 -60.48 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.29 156.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -132.33 152.88 51.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.54 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.34 135.33 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.237 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.11 155.89 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.83 147.51 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -109.77 65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.0 p -143.72 158.21 43.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.02 128.91 37.74 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 16.5 ttpt 51.81 56.2 8.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.3 -47.89 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 1' ' ' LEU . 1.5 pt? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 129.23 55.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -128.83 -179.13 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CG ' ' HG2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -89.37 146.26 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.9 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.75 -72.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 9' ' ' LEU . 59.1 t -83.06 135.69 44.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 53.54 3.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 7' ' ' VAL . 9.3 mt -115.11 -33.17 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -141.26 166.53 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -127.94 149.29 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -133.09 151.49 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 1' ' ' LEU . 15.9 m -92.91 127.5 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.92 140.13 95.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.97 34.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.97 144.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.33 -49.44 1.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -93.45 95.43 9.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -111.44 16.0 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 55' ' ' ASN . 39.4 mt -129.94 131.22 45.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.2 m -94.94 139.81 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.9 p90 -129.19 153.5 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 88.3 mtp -105.1 123.67 48.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 10.9 p90 -138.29 163.14 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.617 ' CB ' ' O ' ' A' ' 61' ' ' HOH . 29.7 mtt -95.95 153.49 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.53 -15.26 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.94 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.968 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -146.58 152.29 45.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.39 15.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -136.35 63.07 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 51.8 t -151.68 87.29 4.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 162.55 37.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 24' ' ' MET . 10.3 p -117.64 -42.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.57 141.01 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -128.91 172.3 11.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.53 -175.77 45.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 m -106.93 144.9 32.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -174.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p30 -119.96 -41.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.63 143.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 135.24 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 160.55 40.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.48 137.53 57.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.78 131.92 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' VAL . 17.1 p -110.77 175.52 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.92 -53.55 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -55.91 13.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' SER . 20.6 m -124.44 153.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.11 153.99 51.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 9.1 m-85 -128.54 154.27 46.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.97 146.56 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.73 155.89 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.89 150.51 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HD23 ' A' ' 20' ' ' LEU . 14.6 p30 -110.81 66.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 p -144.5 155.03 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.19 124.73 22.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 10.4 mtmm 57.54 55.08 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -96.11 -47.66 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 13.3 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.617 ' O ' ' CB ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HG2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -135.23 133.83 39.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.98 -179.36 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -87.69 139.87 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -78.18 -170.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -47.28 -63.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 9' ' ' LEU . 88.1 t -85.16 132.7 44.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.18 3.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 7' ' ' VAL . 16.8 mt -116.55 -35.49 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 2.9 m-85 -143.35 164.3 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 p -127.17 153.64 45.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.02 160.05 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 1' ' ' LEU . 2.9 m -85.62 137.52 32.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.9 m -82.01 136.2 47.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.3 Cg_endo -75.0 164.37 33.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 158.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.49 -46.31 3.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.71 90.64 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.405 ' HA ' HD21 ' A' ' 1' ' ' LEU . 17.0 m-80 -109.49 16.64 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 38.2 mt -134.66 132.08 38.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.6 m -94.37 130.05 40.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.3 p90 -112.86 149.4 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 10.3 pttt -138.16 123.72 19.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.1 mtt -102.8 123.17 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 11.1 p90 -137.85 164.57 28.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.503 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 0.0 OUTLIER -98.99 153.44 18.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -59.63 -14.41 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.51 -42.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -155.95 151.1 21.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t-160 -143.02 65.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 54.2 t -155.12 83.94 3.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.98 148.95 36.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 24' ' ' MET . 8.1 p -108.3 -33.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 8.2 mttt -156.5 170.74 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.587 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 93.0 mtm-85 -161.31 165.46 29.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.507 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.08 -179.97 48.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -98.64 144.76 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 -179.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.27 -39.28 4.76 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -125.94 155.39 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.98 136.13 20.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 175.65 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 146.92 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.29 131.79 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -108.92 172.48 6.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.49 -45.81 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 2.1 tp -55.92 -67.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.58 153.95 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -132.76 156.15 47.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 10.5 m-85 -127.38 143.44 51.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.85 132.9 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 m -122.52 149.94 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.07 165.06 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 12.3 p-10 -121.94 64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 25.3 p -145.23 159.64 42.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 2' ' ' LYS . 2.7 m-20 -66.85 131.61 46.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 52.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.23 -47.05 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 15.8 p-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.503 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 13' ' ' THR . 3.3 mm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 139.45 24.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.4 174.34 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.1 mmtp -99.73 144.46 28.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -167.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.29 -64.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 8' ' ' PRO . 86.1 t -90.69 137.66 26.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 54.45 3.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.6 -35.92 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.34 148.52 52.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -123.46 152.62 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 158.28 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 1' ' ' LEU . 2.6 m -97.86 141.05 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.08 114.42 63.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.75 146.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -39.98 2.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.14 109.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.94 2.08 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.8 mp -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.08 141.12 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 1.7 p90 -123.45 148.15 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -136.5 122.48 20.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.513 ' O ' HG12 ' A' ' 34' ' ' VAL . 21.5 mtm -111.15 122.36 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 21.0 p90 -144.62 164.51 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.761 ' O ' ' O ' ' A' ' 61' ' ' HOH . 28.2 mtm -91.61 146.13 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -58.89 -14.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.79 -43.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -151.61 152.23 30.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.24 16.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 t60 -143.53 70.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.629 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 53.3 t -156.59 80.75 3.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 18.0 Cg_endo -75.02 152.78 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 24' ' ' MET . 9.9 p -116.06 -38.6 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.7 ttmt -160.34 144.48 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' CG ' ' HA ' ' A' ' 23' ' ' LYS . 4.7 mpp_? -144.52 171.99 13.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.22 -165.48 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.92 157.03 16.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -164.33 -178.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' HD13 ' A' ' 20' ' ' LEU . 48.3 t0 -109.19 -48.21 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.55 156.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -92.53 138.18 24.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.341 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.3 Cg_endo -74.94 160.81 39.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.01 138.07 57.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.18 128.52 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -109.71 174.82 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.15 -48.81 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD23 HG13 ' A' ' 49' ' ' VAL . 2.2 tp -55.84 -67.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG13 HD23 ' A' ' 48' ' ' LEU . 21.5 m -111.35 147.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.88 146.27 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.51 159.59 34.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -149.23 139.53 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.54 168.56 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.41 143.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -103.61 62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.4 p -139.18 143.99 38.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.76 119.82 8.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 62.21 55.26 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -87.61 -48.93 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 36.0 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.761 ' O ' ' O ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.95 ' O ' HG23 ' A' ' 13' ' ' THR . 4.4 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -140.6 128.79 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.15 -174.91 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.23 144.32 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.84 -170.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.97 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.507 HG13 ' HD2' ' A' ' 8' ' ' PRO . 97.3 t -83.64 138.2 41.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 53.68 3.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 12.5 mt -116.91 -35.46 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -138.12 163.41 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 p -121.77 158.64 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 2.5 mttm -148.12 162.81 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.95 HG23 ' O ' ' A' ' 1' ' ' LEU . 23.2 m -98.83 147.13 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -96.87 131.62 27.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.73 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.49 163.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.12 -47.84 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -92.89 88.86 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -106.66 14.17 27.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 37.5 mt -137.63 131.63 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.3 m -93.69 136.16 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.8 p90 -114.1 149.98 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -135.98 119.58 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 48.2 mtt -103.29 124.47 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 3.7 p90 -138.98 148.38 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.636 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 29.0 mtt -92.63 147.96 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.2 p -59.98 -14.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.884 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.42 153.25 30.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.63 17.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.16 60.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.884 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 52.9 t -151.78 90.58 3.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.44 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 7.7 p -110.87 -39.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -174.73 157.21 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 40.9 mtm180 -139.85 174.21 10.74 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.67 -172.43 43.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.6 m -106.15 150.31 25.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.19 -178.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.15 -47.01 3.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.27 156.27 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 135.95 20.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 163.11 36.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.93 138.22 58.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.18 143.2 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 86.7 p -118.74 -171.41 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -87.01 -47.35 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 HG23 ' A' ' 49' ' ' VAL . 2.2 tp -63.23 -64.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.812 HG23 HD23 ' A' ' 48' ' ' LEU . 19.4 t -109.84 148.63 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 46' ' ' SER . 3.9 tttp -135.93 160.41 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 13.2 m-85 -132.87 154.0 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.98 130.9 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -112.34 152.27 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.03 150.46 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 46.6 p-10 -110.87 66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 81.8 p -145.0 154.26 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.94 123.89 21.04 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.14 54.03 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.93 -45.58 7.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 27.2 p-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.636 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 107.45 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.61 -176.93 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -91.61 147.22 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -81.15 -171.17 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.94 -68.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' ' 8' ' ' PRO . 90.4 t -85.43 136.61 37.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.97 3.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -116.37 -35.54 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -137.13 159.57 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 p -112.62 150.66 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -146.74 151.4 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.47 117.97 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 m -46.4 140.39 5.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.15 147.13 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.51 -49.7 1.85 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -96.74 96.16 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.26 15.94 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 40' ' ' ASP . 34.5 mt -126.62 132.28 51.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 m -93.9 133.26 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.636 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 1.6 p90 -129.74 158.87 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -145.7 130.58 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.1 mtp -107.56 135.53 48.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.9 p90 -148.01 149.14 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 40.2 mtt -88.82 136.99 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.5 t -59.24 -14.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.5 -41.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -147.64 148.09 29.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -2.36 12.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -149.12 60.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 55.9 t -157.54 84.02 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.42 42.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.87 -44.95 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 165.38 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -130.65 170.63 14.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.636 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -175.84 -172.23 40.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.51 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 51.3 m -120.17 145.19 47.2 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -149.51 178.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.9 p-10 -114.1 -36.62 4.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -114.7 139.15 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.19 120.77 72.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.66 36.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.66 147.45 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -95.9 137.56 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.7 p -112.12 173.35 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.17 -45.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.37 -65.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' CE1' ' A' ' 51' ' ' TYR . 68.0 t -114.03 156.77 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.12 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.1 m-85 -130.57 148.5 52.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.1 t -133.45 129.46 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -120.15 160.4 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.17 167.53 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p30 -127.22 60.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.98 150.3 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.19 119.66 11.29 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.17 52.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.05 -47.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 18.7 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.57 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 13' ' ' THR . 6.5 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -116.26 111.54 20.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.5 m -126.84 -178.95 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.85 149.4 21.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -86.06 -171.8 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.33 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 9' ' ' LEU . 53.8 t -81.75 131.25 58.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.17 3.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.556 HD12 HG11 ' A' ' 7' ' ' VAL . 10.9 mt -116.54 -35.62 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.22 158.74 43.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 p -125.34 149.1 48.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.57 -175.78 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 1.8 m -117.59 133.59 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.44 116.04 51.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.46 16.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.58 145.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 100.76 -39.5 2.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.72 104.98 8.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.31 12.53 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.85 131.39 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 m -91.57 131.53 36.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.7 p90 -117.07 149.88 39.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.5 ttpt -137.21 115.51 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.474 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.8 mtm -99.23 128.63 45.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 12.1 p90 -151.35 154.33 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -83.2 148.48 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -59.64 -14.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.37 -42.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.915 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.27 145.4 17.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.98 17.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.28 48.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.645 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 12.4 t -139.65 82.24 18.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 154.46 42.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 35' ' ' LYS . 12.4 p -112.0 -31.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.4 ptmt -166.78 170.28 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 55.7 mtm180 -159.98 172.05 18.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 171.14 -173.67 44.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.5 m -100.74 156.42 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -162.52 -178.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 4.0 p-10 -110.31 -48.37 3.18 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.8 p -119.14 146.47 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.89 23.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 171.66 17.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -70.6 140.57 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 133.52 35.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -114.61 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.2 -52.69 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -62.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.56 153.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 154.5 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 8.1 m-85 -130.55 144.86 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.4 t -127.45 124.91 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.86 154.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.47 148.48 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -112.65 66.34 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.4 p -144.72 155.34 43.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.39 123.64 20.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.38 54.1 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.68 -48.6 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 21.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -112.63 115.89 29.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.7 -178.72 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.33 146.75 23.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 38.7 mtmt -83.78 -171.55 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.61 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG11 HD12 ' A' ' 9' ' ' LEU . 76.3 t -84.74 136.33 39.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 52.63 3.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.596 HD12 HG11 ' A' ' 7' ' ' VAL . 16.7 mt -115.73 -34.57 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 m-85 -139.96 165.42 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -124.21 156.51 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 3.4 tttp -140.49 168.79 18.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 13.0 m -107.1 117.32 33.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.65 113.02 11.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.99 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.01 158.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 90.16 -39.75 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.22 97.41 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -111.79 12.62 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -124.06 130.36 52.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 m -97.43 120.16 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -116.17 158.34 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -142.79 131.03 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 46.8 mtt -108.29 123.75 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 40.1 p90 -144.34 150.9 38.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mtt -83.14 147.03 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.78 -15.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.88 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.18 153.46 41.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.7 17.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -133.75 59.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 17.9 t -146.77 77.28 11.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.99 155.14 42.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.39 -33.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.1 pttp -159.92 174.27 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 56.7 mtm180 -161.95 169.93 20.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.91 -173.96 45.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 m -118.73 152.21 36.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 tt -159.41 -176.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 6.3 t0 -105.17 -46.86 4.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.85 133.43 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.36 134.49 31.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 161.61 38.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' SER . 21.3 tptt -73.46 143.31 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 2.9 m -81.61 138.09 35.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -114.39 172.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.61 -52.58 17.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 49' ' ' VAL . 6.5 tp -54.33 -66.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 ' HG ' ' A' ' 48' ' ' LEU . 88.5 t -111.63 156.17 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.92 157.75 41.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.434 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.7 m-85 -134.96 136.46 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -122.0 129.62 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 m -118.51 153.99 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.13 143.16 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.7 69.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 44.1 p -147.18 158.04 43.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.36 127.49 32.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.86 53.54 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -93.41 -48.02 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 17.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -130.01 129.97 44.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -131.69 -176.31 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -96.83 153.11 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -89.96 -171.2 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 5.1 mp -40.76 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 8' ' ' PRO . 85.3 t -88.42 139.27 30.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.99 54.3 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 HG11 ' A' ' 7' ' ' VAL . 13.6 mt -116.78 -35.71 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.82 164.98 26.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 p -123.77 155.54 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.89 158.15 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -98.84 139.0 35.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.748 ' O ' HD12 ' A' ' 1' ' ' LEU . 60.2 m -81.43 114.42 49.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.61 35.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.1 151.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.59 -39.66 2.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.93 108.68 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -117.78 5.6 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 55' ' ' ASN . 8.8 mt -119.68 129.6 54.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.25 136.27 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.4 p90 -125.64 150.65 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 9.5 ttpt -137.83 122.98 19.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 mtt -108.91 121.32 44.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -141.02 151.27 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -91.44 152.46 20.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -60.05 -14.09 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.19 -40.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.927 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.65 151.97 27.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -15.13 20.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.9 t-80 -141.21 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.927 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 16.5 t -152.82 90.29 3.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 162.09 37.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -118.06 -40.01 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -164.16 140.73 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.532 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 5.3 mtp180 -138.47 171.43 14.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.493 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.63 -166.0 39.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.56 152.92 24.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.12 -173.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.5 ' OD1' HG13 ' A' ' 41' ' ' VAL . 4.3 p-10 -116.2 -46.97 2.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG13 ' OD1' ' A' ' 40' ' ' ASP . 30.5 m -112.31 143.23 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 133.56 22.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 159.97 40.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -57.23 144.03 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -93.7 124.84 37.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.3 p -105.8 176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.44 -59.71 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.66 -60.48 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.52 147.1 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.3 m-85 -124.45 151.12 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.14 141.59 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.8 m -128.72 152.16 48.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.42 149.59 8.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.5 p-10 -108.18 60.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 32.5 p -141.55 162.39 35.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 2.0 m-20 -70.04 137.84 51.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 23.5 pttt 44.37 47.24 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.23 -47.6 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 17.2 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.28 105.42 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.1 m -123.34 -173.62 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -98.21 153.62 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mtmp? -86.24 -170.02 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.803 HD23 ' HB2' ' A' ' 35' ' ' LYS . 2.3 mp -42.25 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.608 HG13 ' HD2' ' A' ' 8' ' ' PRO . 76.9 t -84.39 140.8 39.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 7' ' ' VAL . 18.6 mt -116.6 -35.21 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -135.35 162.75 31.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -118.64 159.23 23.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -147.81 155.81 42.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 m -110.56 122.95 49.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.26 117.6 28.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.78 156.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.6 -49.96 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -116.21 109.03 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.98 14.53 13.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 40' ' ' ASP . 3.3 mp -123.14 130.55 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -87.44 133.49 33.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 108.341 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.6 p90 -125.45 164.07 21.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.9 pttp -149.24 130.07 14.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.4 mtt -104.7 131.17 52.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 18.7 p90 -148.61 148.85 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.64 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 1.0 OUTLIER -79.93 144.14 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -58.67 -15.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.03 -43.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.938 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -142.66 149.52 50.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.13 20.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.2 t60 -140.52 68.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.938 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 4.3 t -156.95 85.31 2.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 155.12 43.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 24' ' ' MET . 13.8 p -108.93 -36.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.803 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -160.93 175.04 12.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -147.7 171.2 16.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.84 -167.1 36.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 19.1 m -123.3 141.6 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.5 tt -144.59 -178.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.638 ' O ' HD13 ' A' ' 20' ' ' LEU . 18.5 t0 -112.35 -49.39 2.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.91 130.4 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.0 127.15 92.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.9 39.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -58.44 138.01 56.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -93.26 134.26 35.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 p -109.78 173.13 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.25 -46.67 60.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 tp -55.22 -65.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.1 157.35 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.65 150.42 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.25 148.69 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.9 t -130.02 134.97 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -122.07 162.13 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 139.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -101.73 58.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -137.76 158.27 44.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.7 m-20 -69.63 134.65 48.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 1.2 ptmt 48.93 47.26 21.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -80.03 -47.77 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.64 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -134.12 138.61 45.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 m -140.9 -176.89 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -91.2 141.52 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.26 -172.74 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.43 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 98.6 t -83.63 133.49 46.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.96 54.15 3.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 15.9 mt -116.4 -35.5 4.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.9 m-85 -139.18 165.62 26.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -123.67 152.61 41.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -139.37 149.08 43.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 1' ' ' LEU . 1.8 m -85.42 140.34 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.8 140.12 47.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.56 35.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.88 151.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.83 -48.79 2.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.43 93.75 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.542 ' CG ' HD21 ' A' ' 1' ' ' LEU . 1.5 m-80 -110.05 14.64 22.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.23 130.78 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -92.83 139.86 30.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -121.81 148.28 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.7 tttt -136.01 122.32 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt -104.81 122.97 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 23.8 p90 -141.68 145.65 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.3 mtp -82.09 153.59 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.7 t -60.38 -13.72 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.9 -36.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.48 153.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.07 18.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -146.27 69.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 42.8 t -151.75 88.43 4.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.05 153.46 41.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 35' ' ' LYS . 5.4 p -109.96 -46.87 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.1 mtpm? -144.29 157.66 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 2.5 mpp_? -144.97 172.17 13.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.44 179.93 47.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.5 m -103.74 152.69 21.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.99 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -117.84 -42.0 2.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -110.56 139.49 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 138.43 20.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.31 40.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 146.84 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -92.82 128.88 38.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.9 p -107.19 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.55 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tp -46.99 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.48 151.62 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.74 158.87 43.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -131.45 160.0 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.41 136.64 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 m -123.08 154.9 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.13 144.71 4.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.19 64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.428 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 9.0 p -139.88 154.38 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.58 124.43 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.47 52.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.24 -45.87 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 18.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 13' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 111.35 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.09 -177.66 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 152.09 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.22 -171.04 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 35' ' ' LYS . 2.8 mp -45.56 -65.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.654 HG11 HD12 ' A' ' 9' ' ' LEU . 92.7 t -85.16 134.54 40.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.654 HD12 HG11 ' A' ' 7' ' ' VAL . 27.0 mt -116.28 -35.8 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -138.41 164.45 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -124.77 152.24 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 -177.82 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 1' ' ' LEU . 10.9 m -117.32 133.2 56.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.89 125.84 90.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.49 150.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 92.58 -49.45 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 97.26 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' HD11 ' A' ' 1' ' ' LEU . 9.9 m-80 -114.77 16.09 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.1 131.24 53.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 127.08 42.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.7 p90 -114.72 154.12 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 8.5 pttt -139.61 124.28 18.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mtm -108.0 134.54 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -147.8 163.12 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.605 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 16.4 mtt -92.66 149.53 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ALA . 11.1 p -57.77 -15.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.44 -46.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.91 143.49 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 18.3 Cg_endo -74.95 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.5 t-80 -142.61 54.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 46.4 t -152.7 87.83 4.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.69 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.72 -43.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' HD23 ' A' ' 6' ' ' LEU . 11.8 mttt -151.91 162.08 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 41.3 mtm180 -156.87 162.73 39.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.94 -173.6 45.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.97 157.7 16.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tt -165.53 -176.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -111.61 -47.46 3.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.32 138.23 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 137.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.74 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -68.62 145.02 54.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.25 127.98 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 p -109.55 173.13 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.93 -59.85 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -46.76 -63.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.44 150.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.24 151.93 51.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -131.49 148.24 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.9 t -134.99 137.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.8 m -115.95 160.07 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.37 144.61 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -105.74 58.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.4 p -134.96 154.69 51.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.84 126.08 27.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 53.04 7.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -97.28 -46.21 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 23.4 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.605 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -108.22 178.09 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 108.341 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.93 150.5 20.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -171.28 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -47.03 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.0 t -85.34 138.38 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 54.05 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 13.6 mt -116.72 -36.11 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 11.8 m-85 -136.61 163.93 29.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 p -124.15 152.78 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.0 160.83 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.6 m -100.32 133.13 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.62 114.67 43.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.253 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.11 144.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.6 -53.07 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.8 92.27 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -96.68 6.95 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.1 mt -137.94 130.37 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.23 141.07 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 21.5 p90 -120.9 155.55 33.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.42 121.93 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 6.9 mtt -106.37 121.26 43.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -139.93 153.06 46.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.7 mtp -90.92 150.39 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.2 p -60.0 -14.14 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.42 -40.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.894 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -150.62 152.27 32.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.38 18.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.0 t-160 -138.3 65.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.894 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 28.1 t -155.9 87.22 3.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.61 41.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 24' ' ' MET . 9.1 p -111.9 -36.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -167.96 149.03 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -142.02 168.33 20.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -176.76 -153.83 11.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.459 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 75.6 m -124.3 143.2 50.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -150.83 179.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -107.1 -49.42 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.93 146.11 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.11 134.25 31.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 166.53 29.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -64.73 141.34 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.76 129.95 39.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 p -111.24 173.59 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.21 -46.91 54.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -64.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.26 157.05 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -134.56 152.29 51.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.7 m-85 -128.8 145.5 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.18 141.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 m -123.77 152.41 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.03 140.79 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 108.341 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HB3' HD23 ' A' ' 20' ' ' LEU . 4.4 p30 -105.26 63.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -142.89 165.62 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 m-20 -68.98 137.78 54.01 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 50.9 pttt 40.03 53.25 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.97 -45.94 10.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 24.8 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.7 m -131.01 -175.7 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -94.9 152.33 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 11.5 mmmt -86.91 -171.15 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -42.93 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 9' ' ' LEU . 73.2 t -83.39 134.37 45.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.06 54.15 3.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 7' ' ' VAL . 32.5 mt -116.44 -35.68 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.16 169.69 17.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 p -127.73 149.99 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 2.8 tttt -134.53 179.47 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -117.45 129.69 55.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.8 121.64 84.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.463 1.77 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.44 138.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 108.83 -57.45 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 96.74 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -106.34 10.85 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.08 131.77 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.94 134.07 34.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 5.4 p90 -122.16 161.43 23.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.5 pttt -145.18 124.7 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.666 ' O ' HG12 ' A' ' 34' ' ' VAL . 33.0 mtp -104.0 121.66 43.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -140.15 148.18 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mtt -85.6 146.74 26.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 48' ' ' LEU . 12.5 p -60.14 -13.87 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.03 -38.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -161.45 150.07 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.72 17.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.4 t-160 -139.58 62.41 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.4 t -157.11 78.58 3.75 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.63 26.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 24' ' ' MET . 6.8 p -90.71 -37.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -172.36 172.12 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 51.5 mtm180 -154.58 167.75 29.06 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.37 -171.49 44.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.581 1.176 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.9 m -105.45 156.06 18.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -160.65 -178.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -108.42 -48.21 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 40' ' ' ASP . 33.5 m -116.93 150.39 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -94.56 133.68 26.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.1 Cg_endo -75.02 161.94 37.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.71 141.98 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.69 145.71 26.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -124.53 174.79 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.32 -55.53 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.93 -64.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' CE1' ' A' ' 51' ' ' TYR . 67.6 t -115.28 161.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -143.03 155.38 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.435 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.2 m-85 -133.43 149.23 51.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.34 155.38 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.8 m -140.02 157.66 45.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 144.88 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -108.13 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -150.21 156.3 41.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.1 123.4 20.17 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 mttt 60.8 51.16 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.21 -45.26 9.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 25.4 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.4 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -124.33 170.58 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.518 ' HG3' ' HD3' ' A' ' 58' ' ' LYS . 13.8 mmtt -89.3 142.91 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.8 -170.66 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.69 -71.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.79 135.57 42.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.2 3.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.0 mt -116.6 -35.45 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -136.7 155.04 50.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -117.13 156.08 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.6 156.21 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 m -90.58 134.55 34.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.73 136.81 51.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.348 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.2 8.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.65 40.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -42.07 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -96.73 93.27 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -110.73 13.3 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -138.87 130.51 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.19 137.21 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.634 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 3.9 p90 -118.45 152.05 36.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.1 pttp -137.82 122.7 18.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.458 ' O ' HG12 ' A' ' 34' ' ' VAL . 18.1 mtt -106.12 119.15 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -137.52 175.99 9.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.5 mtt -108.45 150.9 26.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.8 p -59.07 -14.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.95 -43.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.66 153.05 27.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -9.2 20.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 t-80 -142.25 68.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.702 ' O ' HG12 ' A' ' 32' ' ' VAL . 4.7 t -157.41 78.46 3.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 156.53 42.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -112.78 -41.45 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 42.7 tttt -153.75 153.66 32.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -143.81 169.75 17.18 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.634 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.27 -171.49 44.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.7 m -101.53 150.3 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tp -156.3 174.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -106.79 -48.38 3.53 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -123.17 146.23 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.41 135.46 26.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -72.46 135.88 45.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -82.09 138.21 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.0 p -114.41 178.95 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.946 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -79.57 -49.91 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.51 -56.67 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 m -128.75 152.75 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 158.3 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -130.96 144.36 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.26 130.94 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 m -120.0 155.43 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.247 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 147.09 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -107.53 63.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -141.35 149.64 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.83 122.04 14.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HD3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 59.3 54.16 4.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -88.28 -47.97 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 27.8 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 pttp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.67 -178.11 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -93.76 144.31 25.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -80.71 -174.15 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 9' ' ' LEU . 67.1 t -83.21 134.76 45.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 53.92 3.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD12 HG11 ' A' ' 7' ' ' VAL . 36.1 mt -115.7 -34.99 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.4 m-85 -139.46 155.84 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.6 p -118.59 151.48 37.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 155.83 42.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -92.4 125.57 37.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -63.73 140.22 97.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.1 Cg_endo -75.03 179.46 6.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.2 143.01 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.23 -43.04 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -91.67 89.66 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.69 11.21 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.6 mt -133.26 130.83 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -95.84 130.81 42.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.626 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.3 p90 -112.0 153.97 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 4.9 ttpt -139.92 117.28 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.585 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.3 mtt -97.0 125.18 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -143.88 145.57 32.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.7 mtt -79.98 147.19 31.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.6 p -60.0 -14.24 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -40.52 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.716 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.52 151.79 24.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -21.1 16.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.5 t-80 -128.84 61.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 44.7 t -153.07 84.04 4.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.62 41.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -106.78 -33.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 174.2 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 82.3 mtm-85 -150.11 173.68 13.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.83 -179.18 48.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.589 1.181 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -104.63 154.63 19.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -159.2 178.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.2 p-10 -113.35 -34.07 5.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.9 148.25 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.89 130.32 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 108.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -81.04 143.83 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.89 125.96 49.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -105.51 174.82 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.65 -50.75 27.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -52.67 -64.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 HD12 ' A' ' 48' ' ' LEU . 29.9 m -113.96 148.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 157.22 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.95 136.59 44.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.0 133.97 65.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -119.44 149.55 41.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.16 151.1 19.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -113.87 70.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 35.2 p -148.69 156.05 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 123.8 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.9 53.68 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.38 -47.89 7.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 26.7 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -128.84 -173.78 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -92.96 154.46 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -88.77 -170.83 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -42.61 -67.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.545 HG13 ' HD2' ' A' ' 8' ' ' PRO . 51.0 t -88.72 138.96 29.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.57 3.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 7' ' ' VAL . 12.3 mt -117.24 -35.41 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.61 164.02 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -122.53 157.59 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.92 174.77 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -121.65 123.74 42.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 4.0 m -57.69 121.6 50.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -40.18 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.21 -55.53 4.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -106.75 102.99 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.27 10.08 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.3 mt -123.94 130.32 52.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -84.78 138.97 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 2.0 p90 -133.12 164.26 27.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 12.6 pttt -149.52 128.33 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.563 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtm -102.02 130.9 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 29.6 p90 -148.1 147.97 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.08 144.38 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -60.15 -13.93 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -39.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.31 149.55 32.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.37 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t-80 -142.19 69.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.906 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t -158.75 84.94 2.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.04 151.73 39.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 24' ' ' MET . 11.9 p -102.97 -36.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -166.37 174.78 8.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 29.0 mtm-85 -147.02 170.51 16.96 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 178.01 -165.22 34.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.26 143.75 49.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.3 tt -142.53 -176.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.4 -47.33 3.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.46 137.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 127.02 93.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 163.98 34.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 138.2 55.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.05 132.83 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 p -111.22 172.83 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.95 -43.19 68.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -64.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 m -115.49 155.02 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -138.9 156.57 47.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 7.0 m-85 -133.14 149.15 52.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -128.43 132.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.7 165.79 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.66 156.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.573 ' HB3' HD23 ' A' ' 20' ' ' LEU . 16.1 p-10 -118.81 63.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.1 p -142.67 150.55 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.15 119.86 11.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 65.97 52.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.605 1.191 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.71 -48.07 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 28.8 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -132.16 -175.29 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -93.55 149.45 21.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 mmmt -83.99 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -42.81 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 9' ' ' LEU . 96.1 t -80.97 132.87 55.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.22 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 7' ' ' VAL . 34.0 mt -116.64 -35.61 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -137.64 158.44 44.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -116.34 150.62 37.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -142.58 179.5 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -109.42 129.38 55.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.9 140.26 91.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.25 31.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.801 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 156.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.74 -46.0 3.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -95.21 90.52 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -107.34 21.75 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.01 131.85 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.0 m -97.35 131.1 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.261 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 7.6 p90 -123.63 157.37 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 9.1 pttt -143.89 123.62 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.7 mtt -98.57 131.27 44.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 24.7 p90 -143.28 159.0 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.7 mtt -91.97 148.83 21.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.9 p -58.56 -15.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.64 -44.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.983 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.82 151.95 47.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -21.62 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -134.69 61.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.983 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 54.1 t -152.21 85.45 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.94 165.06 32.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.816 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.83 -39.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -155.48 168.73 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 30.2 mtm180 -152.01 165.26 35.23 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -174.32 -178.32 44.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.54 141.53 36.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -147.44 179.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 14.7 p-10 -110.83 -41.09 4.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.05 153.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.87 128.71 46.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.35 37.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -60.7 141.25 57.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -101.07 135.43 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -114.62 -179.55 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.94 -47.98 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 HG13 ' A' ' 49' ' ' VAL . 1.3 tp -53.39 -59.87 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.607 HG13 HD23 ' A' ' 48' ' ' LEU . 34.8 m -124.07 149.7 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -130.51 159.76 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.53 145.07 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.53 134.77 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -121.04 160.06 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.41 160.83 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -120.76 63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -142.12 152.94 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.62 120.94 13.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 64.48 53.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.59 -46.24 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 21.0 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.98 170.7 10.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 1.5 mtmp? -89.63 143.9 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -76.31 -172.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -41.86 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 9' ' ' LEU . 45.6 t -81.72 133.2 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.99 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 HG11 ' A' ' 7' ' ' VAL . 18.2 mt -116.15 -35.87 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -139.25 157.76 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.2 p -124.34 157.65 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -143.14 167.27 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.04 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.55 138.24 25.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.43 148.35 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.3 -42.19 2.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -92.24 94.52 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -112.08 6.7 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.9 mp -140.03 130.46 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.34 139.78 31.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' C ' ' A' ' 37' ' ' GLY . 8.3 p90 -114.15 144.1 43.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.6 ttpt -127.36 116.1 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.7 mtm -102.71 121.23 42.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 51.2 p90 -146.59 172.13 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.75 150.38 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -59.98 -14.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.71 -42.01 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.42 153.83 13.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t60 -132.5 63.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 32' ' ' VAL . 8.5 t -156.59 74.41 4.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.1 159.36 41.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.64 -43.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.689 ' HA ' HD23 ' A' ' 6' ' ' LEU . 11.2 mttt -151.84 141.19 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 4.9 mtp180 -142.22 170.71 15.2 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.57 ' C ' ' CE1' ' A' ' 22' ' ' TYR . . . 174.01 -167.81 40.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.82 154.3 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -161.96 178.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -112.13 -46.26 3.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.27 154.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.07 134.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.93 7.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -67.27 155.63 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.9 133.89 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 p -109.39 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.4 -54.58 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 m -115.03 154.27 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.66 157.01 46.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.24 154.52 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.44 124.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.8 159.51 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.66 143.74 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 8.0 p-10 -103.27 69.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 60.8 p -146.24 151.13 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.64 119.82 11.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 63.5 52.81 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.55 -47.83 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 28.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.1 m -126.79 -174.46 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.89 151.26 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.5 mtpt -88.74 -170.72 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LYS . 5.4 mp -39.77 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.611 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.5 t -85.88 141.57 35.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.98 54.01 3.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 7' ' ' VAL . 23.9 mt -116.47 -35.72 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -123.78 154.27 39.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -139.39 150.85 45.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -90.9 144.32 25.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.88 118.67 68.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.3 157.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.73 -47.23 3.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 89.56 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -108.38 11.4 27.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 40' ' ' ASP . 58.4 mt -117.17 130.27 56.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.2 m -96.26 128.9 43.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.1 p90 -127.55 158.34 37.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -144.72 136.67 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.1 mtt -112.96 127.81 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 14.3 p90 -140.65 171.11 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.8 mtt -97.13 149.98 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.7 p -58.97 -14.82 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.59 -42.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -157.6 148.75 16.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.53 8.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.0 t60 -145.34 63.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 52.0 t -158.35 81.26 2.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 155.72 42.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 24' ' ' MET . 7.8 p -112.73 -32.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -159.53 160.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -147.27 168.83 20.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.99 179.93 44.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.0 m -103.29 158.71 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -165.45 -176.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.828 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.8 p30 -107.97 -47.74 3.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.3 p -112.19 152.02 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.11 137.79 22.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 142.72 57.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -94.81 127.35 40.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -112.18 174.16 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.33 -58.43 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -45.42 -62.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 152.13 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -132.54 152.37 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.41 151.29 48.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.13 143.81 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.7 m -134.55 156.95 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 108.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.53 169.25 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -126.89 68.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.5 p -150.28 158.06 43.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.51 126.69 29.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.07 52.35 11.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.81 -48.11 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.353 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 14.2 p-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.62 179.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.4 mmtm -93.06 146.84 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -87.25 -169.77 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.31 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -88.53 140.2 29.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.02 52.65 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 7' ' ' VAL . 13.0 mt -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.13 163.63 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -119.55 148.82 42.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -129.93 148.77 51.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -96.12 122.18 38.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.62 114.87 22.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.65 24.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.31 157.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 88.55 -41.75 3.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.61 97.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -110.34 15.37 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -128.0 130.74 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -92.84 128.7 38.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -115.66 150.72 36.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 23.3 pttt -136.93 124.35 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 55.3 mtp -111.26 126.01 54.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.59 167.94 20.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.8 mtt -91.08 147.99 22.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -57.94 -15.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.45 -45.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -160.98 154.25 18.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.85 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -142.21 57.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 32' ' ' VAL . 17.5 t -147.43 78.86 9.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.76 35.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.46 -41.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 25.5 ttmt -148.78 155.12 40.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 31.9 mtm180 -154.89 165.15 37.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.12 -166.37 35.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -115.91 154.68 29.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -171.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 14.4 t0 -114.84 -45.36 2.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.65 133.04 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.06 136.83 22.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.16 35.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.803 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -70.57 141.34 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -75.59 143.26 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -119.75 178.2 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.15 -56.9 4.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 32.3 tp -48.85 -60.48 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.29 156.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -132.33 152.88 51.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.54 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.34 135.33 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.237 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.11 155.89 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.83 147.51 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -109.77 65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.0 p -143.72 158.21 43.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.02 128.91 37.74 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 16.5 ttpt 51.81 56.2 8.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.3 -47.89 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -128.83 -179.13 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CG ' ' HG2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -89.37 146.26 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.9 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.75 -72.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 9' ' ' LEU . 59.1 t -83.06 135.69 44.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 53.54 3.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 7' ' ' VAL . 9.3 mt -115.11 -33.17 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -141.26 166.53 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -127.94 149.29 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -133.09 151.49 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -92.91 127.5 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.92 140.13 95.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.97 34.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.97 144.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.33 -49.44 1.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -93.45 95.43 9.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -111.44 16.0 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 55' ' ' ASN . 39.4 mt -129.94 131.22 45.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.2 m -94.94 139.81 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.9 p90 -129.19 153.5 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 88.3 mtp -105.1 123.67 48.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 10.9 p90 -138.29 163.14 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtt -95.95 153.49 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.53 -15.26 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.94 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.968 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -146.58 152.29 45.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.39 15.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -136.35 63.07 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 51.8 t -151.68 87.29 4.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 162.55 37.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 24' ' ' MET . 10.3 p -117.64 -42.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.57 141.01 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -128.91 172.3 11.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.53 -175.77 45.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 m -106.93 144.9 32.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -174.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p30 -119.96 -41.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.63 143.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 135.24 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 160.55 40.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.48 137.53 57.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.78 131.92 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' VAL . 17.1 p -110.77 175.52 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.92 -53.55 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -55.91 13.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' SER . 20.6 m -124.44 153.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.11 153.99 51.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 9.1 m-85 -128.54 154.27 46.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.97 146.56 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.73 155.89 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.89 150.51 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HD23 ' A' ' 20' ' ' LEU . 14.6 p30 -110.81 66.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 p -144.5 155.03 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.19 124.73 22.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 10.4 mtmm 57.54 55.08 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -96.11 -47.66 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 13.3 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HG2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.98 -179.36 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -87.69 139.87 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -78.18 -170.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -47.28 -63.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 9' ' ' LEU . 88.1 t -85.16 132.7 44.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.18 3.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 7' ' ' VAL . 16.8 mt -116.55 -35.49 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 2.9 m-85 -143.35 164.3 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 p -127.17 153.64 45.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.02 160.05 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -85.62 137.52 32.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.9 m -82.01 136.2 47.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.3 Cg_endo -75.0 164.37 33.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 158.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.49 -46.31 3.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.71 90.64 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -109.49 16.64 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 38.2 mt -134.66 132.08 38.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.6 m -94.37 130.05 40.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.3 p90 -112.86 149.4 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 10.3 pttt -138.16 123.72 19.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.1 mtt -102.8 123.17 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 11.1 p90 -137.85 164.57 28.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.99 153.44 18.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -59.63 -14.41 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.51 -42.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -155.95 151.1 21.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t-160 -143.02 65.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 54.2 t -155.12 83.94 3.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.98 148.95 36.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 24' ' ' MET . 8.1 p -108.3 -33.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 8.2 mttt -156.5 170.74 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.587 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 93.0 mtm-85 -161.31 165.46 29.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.507 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.08 -179.97 48.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -98.64 144.76 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 -179.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.27 -39.28 4.76 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -125.94 155.39 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.98 136.13 20.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 175.65 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 146.92 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.29 131.79 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -108.92 172.48 6.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.49 -45.81 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 2.1 tp -55.92 -67.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.58 153.95 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -132.76 156.15 47.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 10.5 m-85 -127.38 143.44 51.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.85 132.9 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 m -122.52 149.94 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.07 165.06 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 12.3 p-10 -121.94 64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 25.3 p -145.23 159.64 42.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 2' ' ' LYS . 2.7 m-20 -66.85 131.61 46.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 52.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.23 -47.05 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 15.8 p-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.4 174.34 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.1 mmtp -99.73 144.46 28.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -167.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.29 -64.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 8' ' ' PRO . 86.1 t -90.69 137.66 26.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 54.45 3.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.6 -35.92 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.34 148.52 52.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -123.46 152.62 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 158.28 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -97.86 141.05 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.08 114.42 63.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.75 146.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -39.98 2.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.14 109.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.94 2.08 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.8 mp -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.08 141.12 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 1.7 p90 -123.45 148.15 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -136.5 122.48 20.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.513 ' O ' HG12 ' A' ' 34' ' ' VAL . 21.5 mtm -111.15 122.36 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 21.0 p90 -144.62 164.51 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.2 mtm -91.61 146.13 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -58.89 -14.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.79 -43.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -151.61 152.23 30.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.24 16.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 t60 -143.53 70.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.629 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 53.3 t -156.59 80.75 3.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 18.0 Cg_endo -75.02 152.78 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 24' ' ' MET . 9.9 p -116.06 -38.6 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.7 ttmt -160.34 144.48 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' CG ' ' HA ' ' A' ' 23' ' ' LYS . 4.7 mpp_? -144.52 171.99 13.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.22 -165.48 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.92 157.03 16.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -164.33 -178.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' HD13 ' A' ' 20' ' ' LEU . 48.3 t0 -109.19 -48.21 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.55 156.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -92.53 138.18 24.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.341 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.3 Cg_endo -74.94 160.81 39.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.01 138.07 57.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.18 128.52 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -109.71 174.82 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.15 -48.81 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD23 HG13 ' A' ' 49' ' ' VAL . 2.2 tp -55.84 -67.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG13 HD23 ' A' ' 48' ' ' LEU . 21.5 m -111.35 147.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.88 146.27 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.51 159.59 34.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -149.23 139.53 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.54 168.56 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.41 143.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -103.61 62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.4 p -139.18 143.99 38.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.76 119.82 8.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 62.21 55.26 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -87.61 -48.93 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 36.0 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.15 -174.91 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.23 144.32 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.84 -170.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.97 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.507 HG13 ' HD2' ' A' ' 8' ' ' PRO . 97.3 t -83.64 138.2 41.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 53.68 3.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 12.5 mt -116.91 -35.46 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -138.12 163.41 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 p -121.77 158.64 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 2.5 mttm -148.12 162.81 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -98.83 147.13 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -96.87 131.62 27.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.73 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.49 163.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.12 -47.84 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -92.89 88.86 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -106.66 14.17 27.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 37.5 mt -137.63 131.63 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.3 m -93.69 136.16 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.8 p90 -114.1 149.98 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -135.98 119.58 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 48.2 mtt -103.29 124.47 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 3.7 p90 -138.98 148.38 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.0 mtt -92.63 147.96 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.2 p -59.98 -14.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.884 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.42 153.25 30.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.63 17.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.16 60.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.884 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 52.9 t -151.78 90.58 3.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.44 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 7.7 p -110.87 -39.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -174.73 157.21 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 40.9 mtm180 -139.85 174.21 10.74 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.67 -172.43 43.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.6 m -106.15 150.31 25.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.19 -178.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.15 -47.01 3.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.27 156.27 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 135.95 20.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 163.11 36.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.93 138.22 58.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.18 143.2 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 86.7 p -118.74 -171.41 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -87.01 -47.35 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 HG23 ' A' ' 49' ' ' VAL . 2.2 tp -63.23 -64.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.812 HG23 HD23 ' A' ' 48' ' ' LEU . 19.4 t -109.84 148.63 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 46' ' ' SER . 3.9 tttp -135.93 160.41 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 13.2 m-85 -132.87 154.0 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.98 130.9 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -112.34 152.27 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.03 150.46 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 46.6 p-10 -110.87 66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 81.8 p -145.0 154.26 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.94 123.89 21.04 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.14 54.03 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.93 -45.58 7.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 27.2 p-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.61 -176.93 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -91.61 147.22 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -81.15 -171.17 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.94 -68.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' ' 8' ' ' PRO . 90.4 t -85.43 136.61 37.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.97 3.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -116.37 -35.54 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -137.13 159.57 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 p -112.62 150.66 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -146.74 151.4 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.47 117.97 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 m -46.4 140.39 5.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.15 147.13 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.51 -49.7 1.85 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -96.74 96.16 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.26 15.94 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 40' ' ' ASP . 34.5 mt -126.62 132.28 51.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 m -93.9 133.26 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.636 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 1.6 p90 -129.74 158.87 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -145.7 130.58 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.1 mtp -107.56 135.53 48.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.9 p90 -148.01 149.14 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 40.2 mtt -88.82 136.99 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.5 t -59.24 -14.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.5 -41.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -147.64 148.09 29.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -2.36 12.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -149.12 60.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 55.9 t -157.54 84.02 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.42 42.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.87 -44.95 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 165.38 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -130.65 170.63 14.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.636 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -175.84 -172.23 40.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.51 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 51.3 m -120.17 145.19 47.2 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -149.51 178.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.9 p-10 -114.1 -36.62 4.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -114.7 139.15 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.19 120.77 72.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.66 36.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.66 147.45 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -95.9 137.56 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.7 p -112.12 173.35 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.17 -45.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.37 -65.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' CE1' ' A' ' 51' ' ' TYR . 68.0 t -114.03 156.77 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.12 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.1 m-85 -130.57 148.5 52.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.1 t -133.45 129.46 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -120.15 160.4 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.17 167.53 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p30 -127.22 60.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.98 150.3 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.19 119.66 11.29 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.17 52.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.05 -47.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 18.7 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.7 tttp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.5 m -126.84 -178.95 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.85 149.4 21.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -86.06 -171.8 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.33 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 9' ' ' LEU . 53.8 t -81.75 131.25 58.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.17 3.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.556 HD12 HG11 ' A' ' 7' ' ' VAL . 10.9 mt -116.54 -35.62 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.22 158.74 43.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 p -125.34 149.1 48.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.57 -175.78 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -117.59 133.59 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.44 116.04 51.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.46 16.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.58 145.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 100.76 -39.5 2.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.72 104.98 8.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.31 12.53 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.85 131.39 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 m -91.57 131.53 36.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.7 p90 -117.07 149.88 39.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.5 ttpt -137.21 115.51 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.474 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.8 mtm -99.23 128.63 45.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.493 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 12.1 p90 -151.35 154.33 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -83.2 148.48 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -59.64 -14.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.37 -42.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.915 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.27 145.4 17.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.98 17.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.28 48.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.645 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 12.4 t -139.65 82.24 18.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 154.46 42.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 35' ' ' LYS . 12.4 p -112.0 -31.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.4 ptmt -166.78 170.28 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 55.7 mtm180 -159.98 172.05 18.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 171.14 -173.67 44.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.5 m -100.74 156.42 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -162.52 -178.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 4.0 p-10 -110.31 -48.37 3.18 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.8 p -119.14 146.47 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.89 23.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 171.66 17.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -70.6 140.57 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 133.52 35.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -114.61 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.2 -52.69 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -62.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.56 153.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 154.5 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 8.1 m-85 -130.55 144.86 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.4 t -127.45 124.91 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.86 154.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.47 148.48 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -112.65 66.34 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.4 p -144.72 155.34 43.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.39 123.64 20.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.38 54.1 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.68 -48.6 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 21.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 pttp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.7 -178.72 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.33 146.75 23.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 38.7 mtmt -83.78 -171.55 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.61 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG11 HD12 ' A' ' 9' ' ' LEU . 76.3 t -84.74 136.33 39.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 52.63 3.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.596 HD12 HG11 ' A' ' 7' ' ' VAL . 16.7 mt -115.73 -34.57 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 m-85 -139.96 165.42 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -124.21 156.51 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 3.4 tttp -140.49 168.79 18.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 m -107.1 117.32 33.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.65 113.02 11.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.99 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.01 158.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 90.16 -39.75 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.22 97.41 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.79 12.62 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -124.06 130.36 52.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 m -97.43 120.16 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -116.17 158.34 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -142.79 131.03 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 46.8 mtt -108.29 123.75 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 40.1 p90 -144.34 150.9 38.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mtt -83.14 147.03 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.78 -15.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.88 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.18 153.46 41.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.7 17.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -133.75 59.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 17.9 t -146.77 77.28 11.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.99 155.14 42.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.39 -33.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.1 pttp -159.92 174.27 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 56.7 mtm180 -161.95 169.93 20.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.91 -173.96 45.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 m -118.73 152.21 36.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 tt -159.41 -176.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 6.3 t0 -105.17 -46.86 4.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.85 133.43 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.36 134.49 31.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 161.61 38.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' SER . 21.3 tptt -73.46 143.31 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 2.9 m -81.61 138.09 35.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -114.39 172.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.61 -52.58 17.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 49' ' ' VAL . 6.5 tp -54.33 -66.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 ' HG ' ' A' ' 48' ' ' LEU . 88.5 t -111.63 156.17 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.92 157.75 41.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.434 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.7 m-85 -134.96 136.46 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -122.0 129.62 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 m -118.51 153.99 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.13 143.16 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.7 69.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 44.1 p -147.18 158.04 43.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.36 127.49 32.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.86 53.54 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -93.41 -48.02 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 17.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -131.69 -176.31 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -96.83 153.11 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -89.96 -171.2 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 5.1 mp -40.76 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 8' ' ' PRO . 85.3 t -88.42 139.27 30.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.99 54.3 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 HG11 ' A' ' 7' ' ' VAL . 13.6 mt -116.78 -35.71 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.82 164.98 26.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 p -123.77 155.54 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.89 158.15 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -98.84 139.0 35.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.2 m -81.43 114.42 49.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.61 35.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.1 151.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.59 -39.66 2.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.93 108.68 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -117.78 5.6 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 55' ' ' ASN . 8.8 mt -119.68 129.6 54.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.25 136.27 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 p90 -125.64 150.65 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 9.5 ttpt -137.83 122.98 19.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 mtt -108.91 121.32 44.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -141.02 151.27 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -91.44 152.46 20.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -60.05 -14.09 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.19 -40.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.927 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.65 151.97 27.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -15.13 20.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.9 t-80 -141.21 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.927 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 16.5 t -152.82 90.29 3.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 162.09 37.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -118.06 -40.01 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -164.16 140.73 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.532 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 5.3 mtp180 -138.47 171.43 14.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.493 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.63 -166.0 39.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.56 152.92 24.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.12 -173.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.5 ' OD1' HG13 ' A' ' 41' ' ' VAL . 4.3 p-10 -116.2 -46.97 2.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG13 ' OD1' ' A' ' 40' ' ' ASP . 30.5 m -112.31 143.23 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 133.56 22.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 159.97 40.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -57.23 144.03 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -93.7 124.84 37.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.3 p -105.8 176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.44 -59.71 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.66 -60.48 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.52 147.1 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.3 m-85 -124.45 151.12 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.14 141.59 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.8 m -128.72 152.16 48.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.42 149.59 8.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB3' HD23 ' A' ' 20' ' ' LEU . 4.2 p30 -108.18 60.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 32.5 p -141.55 162.39 35.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 2.0 m-20 -70.04 137.84 51.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 23.5 pttt 44.37 47.24 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.23 -47.6 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 17.2 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.1 m -123.34 -173.62 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -98.21 153.62 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mtmp? -86.24 -170.02 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.803 HD23 ' HB2' ' A' ' 35' ' ' LYS . 2.3 mp -42.25 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.608 HG13 ' HD2' ' A' ' 8' ' ' PRO . 76.9 t -84.39 140.8 39.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 7' ' ' VAL . 18.6 mt -116.6 -35.21 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -135.35 162.75 31.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -118.64 159.23 23.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -147.81 155.81 42.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 m -110.56 122.95 49.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.26 117.6 28.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.78 156.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.6 -49.96 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -116.21 109.03 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.98 14.53 13.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 40' ' ' ASP . 3.3 mp -123.14 130.55 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -87.44 133.49 33.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 108.341 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.6 p90 -125.45 164.07 21.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.9 pttp -149.24 130.07 14.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.4 mtt -104.7 131.17 52.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 18.7 p90 -148.61 148.85 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.93 144.14 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -58.67 -15.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.03 -43.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.938 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -142.66 149.52 50.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.13 20.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.2 t60 -140.52 68.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.938 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 4.3 t -156.95 85.31 2.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 155.12 43.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 24' ' ' MET . 13.8 p -108.93 -36.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.803 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -160.93 175.04 12.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -147.7 171.2 16.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.84 -167.1 36.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 19.1 m -123.3 141.6 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.5 tt -144.59 -178.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.638 ' O ' HD13 ' A' ' 20' ' ' LEU . 18.5 t0 -112.35 -49.39 2.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.91 130.4 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.0 127.15 92.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.9 39.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -58.44 138.01 56.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -93.26 134.26 35.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 p -109.78 173.13 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.25 -46.67 60.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 tp -55.22 -65.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.1 157.35 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.65 150.42 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.25 148.69 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.9 t -130.02 134.97 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -122.07 162.13 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 139.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -101.73 58.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -137.76 158.27 44.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.7 m-20 -69.63 134.65 48.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 1.2 ptmt 48.93 47.26 21.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -80.03 -47.77 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 m -140.9 -176.89 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -91.2 141.52 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.26 -172.74 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.43 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 98.6 t -83.63 133.49 46.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.96 54.15 3.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 15.9 mt -116.4 -35.5 4.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.9 m-85 -139.18 165.62 26.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -123.67 152.61 41.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -139.37 149.08 43.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -85.42 140.34 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.8 140.12 47.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.56 35.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.88 151.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.83 -48.79 2.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.43 93.75 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.05 14.64 22.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.23 130.78 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -92.83 139.86 30.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -121.81 148.28 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.7 tttt -136.01 122.32 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt -104.81 122.97 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 23.8 p90 -141.68 145.65 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.3 mtp -82.09 153.59 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.7 t -60.38 -13.72 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.9 -36.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.48 153.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.07 18.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -146.27 69.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 42.8 t -151.75 88.43 4.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.05 153.46 41.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' LYS . 5.4 p -109.96 -46.87 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.1 mtpm? -144.29 157.66 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 2.5 mpp_? -144.97 172.17 13.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.44 179.93 47.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.5 m -103.74 152.69 21.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.99 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -117.84 -42.0 2.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -110.56 139.49 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 138.43 20.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.31 40.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 146.84 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -92.82 128.88 38.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.9 p -107.19 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.55 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tp -46.99 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.48 151.62 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.74 158.87 43.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -131.45 160.0 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.41 136.64 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 m -123.08 154.9 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.13 144.71 4.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.19 64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.428 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 9.0 p -139.88 154.38 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.58 124.43 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.47 52.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.24 -45.87 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 18.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.09 -177.66 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 152.09 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.22 -171.04 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 35' ' ' LYS . 2.8 mp -45.56 -65.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.654 HG11 HD12 ' A' ' 9' ' ' LEU . 92.7 t -85.16 134.54 40.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.654 HD12 HG11 ' A' ' 7' ' ' VAL . 27.0 mt -116.28 -35.8 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -138.41 164.45 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -124.77 152.24 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 -177.82 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 m -117.32 133.2 56.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.89 125.84 90.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.49 150.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 92.58 -49.45 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 97.26 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -114.77 16.09 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.1 131.24 53.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 127.08 42.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.7 p90 -114.72 154.12 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 8.5 pttt -139.61 124.28 18.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mtm -108.0 134.54 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -147.8 163.12 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.4 mtt -92.66 149.53 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ALA . 11.1 p -57.77 -15.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.44 -46.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.91 143.49 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 18.3 Cg_endo -74.95 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.5 t-80 -142.61 54.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 46.4 t -152.7 87.83 4.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.69 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.72 -43.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' HD23 ' A' ' 6' ' ' LEU . 11.8 mttt -151.91 162.08 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 41.3 mtm180 -156.87 162.73 39.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.94 -173.6 45.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.97 157.7 16.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tt -165.53 -176.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -111.61 -47.46 3.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.32 138.23 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 137.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.74 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -68.62 145.02 54.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.25 127.98 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 p -109.55 173.13 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.93 -59.85 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -46.76 -63.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.44 150.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.24 151.93 51.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -131.49 148.24 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.9 t -134.99 137.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.8 m -115.95 160.07 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.37 144.61 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -105.74 58.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.4 p -134.96 154.69 51.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.84 126.08 27.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 53.04 7.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -97.28 -46.21 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 23.4 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 13' ' ' THR . 1.3 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.66 102.83 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -108.22 178.09 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 108.341 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.93 150.5 20.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -171.28 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -47.03 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG13 ' HD2' ' A' ' 8' ' ' PRO . 71.0 t -85.34 138.38 36.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 54.05 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 13.6 mt -116.72 -36.11 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 11.8 m-85 -136.61 163.93 29.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 p -124.15 152.78 42.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.0 160.83 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 1' ' ' LEU . 39.6 m -100.32 133.13 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -77.62 114.67 43.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.253 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.11 144.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.6 -53.07 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.8 92.27 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -96.68 6.95 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.1 mt -137.94 130.37 29.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.6 m -86.23 141.07 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.335 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 21.5 p90 -120.9 155.55 33.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.42 121.93 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 6.9 mtt -106.37 121.26 43.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -139.93 153.06 46.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.7 mtp -90.92 150.39 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.2 p -60.0 -14.14 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.42 -40.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.894 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -150.62 152.27 32.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.38 18.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.0 t-160 -138.3 65.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.894 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 28.1 t -155.9 87.22 3.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.61 41.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 24' ' ' MET . 9.1 p -111.9 -36.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -167.96 149.03 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -142.02 168.33 20.02 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -176.76 -153.83 11.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 75.6 m -124.3 143.2 50.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -150.83 179.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -107.1 -49.42 3.28 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.93 146.11 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.11 134.25 31.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 166.53 29.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -64.73 141.34 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.76 129.95 39.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 p -111.24 173.59 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.21 -46.91 54.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -64.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.26 157.05 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -134.56 152.29 51.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.7 m-85 -128.8 145.5 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.18 141.94 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 m -123.77 152.41 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.03 140.79 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 108.341 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HB3' HD23 ' A' ' 20' ' ' LEU . 4.4 p30 -105.26 63.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -142.89 165.62 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' LYS . 3.2 m-20 -68.98 137.78 54.01 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 50.9 pttt 40.03 53.25 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.97 -45.94 10.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 24.8 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.539 HD11 ' O ' ' A' ' 19' ' ' ASN . 3.7 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.79 109.29 16.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.7 m -131.01 -175.7 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 108.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -94.9 152.33 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 11.5 mmmt -86.91 -171.15 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -42.93 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 9' ' ' LEU . 73.2 t -83.39 134.37 45.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.06 54.15 3.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 7' ' ' VAL . 32.5 mt -116.44 -35.68 4.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.16 169.69 17.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 p -127.73 149.99 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 2.8 tttt -134.53 179.47 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 m -117.45 129.69 55.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.8 121.64 84.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.463 1.77 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.44 138.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 108.83 -57.45 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 96.74 8.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.539 ' O ' HD11 ' A' ' 1' ' ' LEU . 25.7 m-20 -106.34 10.85 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.08 131.77 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.2 m -90.94 134.07 34.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 5.4 p90 -122.16 161.43 23.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.5 pttt -145.18 124.7 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.666 ' O ' HG12 ' A' ' 34' ' ' VAL . 33.0 mtp -104.0 121.66 43.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -140.15 148.18 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.8 mtt -85.6 146.74 26.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 48' ' ' LEU . 12.5 p -60.14 -13.87 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.03 -38.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -161.45 150.07 12.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.72 17.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.564 1.823 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.4 t-160 -139.58 62.41 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.4 t -157.11 78.58 3.75 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.63 26.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 24' ' ' MET . 6.8 p -90.71 -37.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -172.36 172.12 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 51.5 mtm180 -154.58 167.75 29.06 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.37 -171.49 44.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.581 1.176 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.9 m -105.45 156.06 18.56 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -160.65 -178.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -108.42 -48.21 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 40' ' ' ASP . 33.5 m -116.93 150.39 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -94.56 133.68 26.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.1 Cg_endo -75.02 161.94 37.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -64.71 141.98 58.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.69 145.71 26.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -124.53 174.79 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.32 -55.53 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.93 -64.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' CE1' ' A' ' 51' ' ' TYR . 67.6 t -115.28 161.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -143.03 155.38 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.435 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.2 m-85 -133.43 149.23 51.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.34 155.38 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 55.8 m -140.02 157.66 45.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 144.88 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -108.13 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -150.21 156.3 41.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.1 123.4 20.17 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.1 mttt 60.8 51.16 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.21 -45.26 9.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 25.4 p-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 19' ' ' ASN . 5.0 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -124.78 126.18 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -124.33 170.58 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.518 ' HG3' ' HD3' ' A' ' 58' ' ' LYS . 13.8 mmtt -89.3 142.91 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.8 -170.66 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.69 -71.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -83.79 135.57 42.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.2 3.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.0 mt -116.6 -35.45 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -136.7 155.04 50.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -117.13 156.08 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.6 156.21 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 m -90.58 134.55 34.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -80.73 136.81 51.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.348 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.2 8.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.768 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.65 40.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -42.07 2.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -96.73 93.27 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.591 ' HA ' HD23 ' A' ' 1' ' ' LEU . 5.5 m-20 -110.73 13.3 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -138.87 130.51 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.19 137.21 33.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.634 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 3.9 p90 -118.45 152.05 36.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.1 pttp -137.82 122.7 18.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.458 ' O ' HG12 ' A' ' 34' ' ' VAL . 18.1 mtt -106.12 119.15 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -137.52 175.99 9.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 10.5 mtt -108.45 150.9 26.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.8 p -59.07 -14.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.95 -43.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.66 153.05 27.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -9.2 20.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 t-80 -142.25 68.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.702 ' O ' HG12 ' A' ' 32' ' ' VAL . 4.7 t -157.41 78.46 3.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 156.53 42.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -112.78 -41.45 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 42.7 tttt -153.75 153.66 32.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -143.81 169.75 17.18 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.634 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.27 -171.49 44.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.7 m -101.53 150.3 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tp -156.3 174.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -106.79 -48.38 3.53 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -123.17 146.23 28.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.41 135.46 26.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -72.46 135.88 45.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -82.09 138.21 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.0 p -114.41 178.95 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.946 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -79.57 -49.91 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.51 -56.67 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 m -128.75 152.75 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 158.3 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -130.96 144.36 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.4 t -130.26 130.94 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 m -120.0 155.43 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.247 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 147.09 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.284 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -107.53 63.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -141.35 149.64 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.83 122.04 14.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HD3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 59.3 54.16 4.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -88.28 -47.97 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 27.8 p-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -108.23 120.48 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.67 -178.11 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -93.76 144.31 25.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -80.71 -174.15 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.92 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 9' ' ' LEU . 67.1 t -83.21 134.76 45.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 53.92 3.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD12 HG11 ' A' ' 7' ' ' VAL . 36.1 mt -115.7 -34.99 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.4 m-85 -139.46 155.84 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.6 p -118.59 151.48 37.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 155.83 42.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 m -92.4 125.57 37.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -63.73 140.22 97.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.1 Cg_endo -75.03 179.46 6.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.2 143.01 35.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.23 -43.04 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -91.67 89.66 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.69 11.21 26.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 40' ' ' ASP . 36.6 mt -133.26 130.83 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -95.84 130.81 42.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.626 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.3 p90 -112.0 153.97 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 4.9 ttpt -139.92 117.28 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.585 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.3 mtt -97.0 125.18 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -143.88 145.57 32.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.575 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 1.7 mtt -79.98 147.19 31.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.6 p -60.0 -14.24 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -40.52 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.716 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -154.52 151.79 24.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -21.1 16.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.5 t-80 -128.84 61.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.716 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 44.7 t -153.07 84.04 4.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.62 41.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -106.78 -33.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 174.2 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 82.3 mtm-85 -150.11 173.68 13.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.83 -179.18 48.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.589 1.181 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -104.63 154.63 19.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -159.2 178.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.2 p-10 -113.35 -34.07 5.74 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.9 148.25 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.89 130.32 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 108.261 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.95 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -81.04 143.83 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.89 125.96 49.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.5 p -105.51 174.82 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.65 -50.75 27.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -52.67 -64.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 HD12 ' A' ' 48' ' ' LEU . 29.9 m -113.96 148.78 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 157.22 41.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.95 136.59 44.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.0 133.97 65.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -119.44 149.55 41.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.16 151.1 19.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.9 p30 -113.87 70.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 35.2 p -148.69 156.05 41.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 123.8 20.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.9 53.68 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.38 -47.89 7.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 26.7 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.575 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -86.15 109.81 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -128.84 -173.78 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -92.96 154.46 18.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -88.77 -170.83 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -42.61 -67.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.545 HG13 ' HD2' ' A' ' 8' ' ' PRO . 51.0 t -88.72 138.96 29.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.57 3.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 7' ' ' VAL . 12.3 mt -117.24 -35.41 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.61 164.02 28.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -122.53 157.59 31.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.92 174.77 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -121.65 123.74 42.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 4.0 m -57.69 121.6 50.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 108.251 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -74.98 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -40.18 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.21 -55.53 4.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -106.75 102.99 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.27 10.08 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 55' ' ' ASN . 1.3 mt -123.94 130.32 52.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -84.78 138.97 32.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 2.0 p90 -133.12 164.26 27.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 12.6 pttt -149.52 128.33 12.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.563 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtm -102.02 130.9 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 29.6 p90 -148.1 147.97 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.701 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 0.0 OUTLIER -83.08 144.38 29.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -60.15 -13.93 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.14 -39.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.31 149.55 32.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 62' ' ' HOH . 18.4 Cg_endo -74.98 -13.37 21.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t-80 -142.19 69.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.906 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t -158.75 84.94 2.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.04 151.73 39.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 24' ' ' MET . 11.9 p -102.97 -36.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -166.37 174.78 8.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 29.0 mtm-85 -147.02 170.51 16.96 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 178.01 -165.22 34.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 m -123.26 143.75 49.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.3 tt -142.53 -176.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.4 -47.33 3.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -127.46 137.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 127.02 93.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 163.98 34.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.47 138.2 55.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.05 132.83 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 p -111.22 172.83 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.95 -43.19 68.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -64.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 m -115.49 155.02 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -138.9 156.57 47.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 7.0 m-85 -133.14 149.15 52.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.2 t -128.43 132.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -121.7 165.79 15.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.66 156.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.573 ' HB3' HD23 ' A' ' 20' ' ' LEU . 16.1 p-10 -118.81 63.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.1 p -142.67 150.55 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.15 119.86 11.63 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 65.97 52.72 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.605 1.191 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.71 -48.07 7.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 28.8 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.701 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . 0.42 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 13' ' ' THR . 2.3 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -114.68 108.45 16.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -132.16 -175.29 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -93.55 149.45 21.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 mmmt -83.99 -171.46 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -42.81 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 9' ' ' LEU . 96.1 t -80.97 132.87 55.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.22 3.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 7' ' ' VAL . 34.0 mt -116.64 -35.61 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -137.64 158.44 44.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 p -116.34 150.62 37.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -142.58 179.5 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 3.4 m -109.42 129.38 55.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.9 140.26 91.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.25 31.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.801 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 156.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.74 -46.0 3.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -95.21 90.52 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -107.34 21.75 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.01 131.85 35.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.0 m -97.35 131.1 44.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.261 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HB ' ' A' ' 39' ' ' ILE . 7.6 p90 -123.63 157.37 33.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 9.1 pttt -143.89 123.62 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.7 mtt -98.57 131.27 44.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 24.7 p90 -143.28 159.0 43.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.654 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 30.7 mtt -91.97 148.83 21.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.9 p -58.56 -15.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.64 -44.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.983 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.82 151.95 47.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -21.62 15.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -134.69 61.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.983 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 54.1 t -152.21 85.45 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.94 165.06 32.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.816 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.83 -39.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -155.48 168.73 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 30.2 mtm180 -152.01 165.26 35.23 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -174.32 -178.32 44.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.0 m -105.54 141.53 36.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -147.44 179.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 40' ' ' ASP . 14.7 p-10 -110.83 -41.09 4.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.05 153.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.87 128.71 46.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.35 37.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -60.7 141.25 57.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -101.07 135.43 42.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -114.62 -179.55 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.94 -47.98 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.607 HD23 HG13 ' A' ' 49' ' ' VAL . 1.3 tp -53.39 -59.87 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.607 HG13 HD23 ' A' ' 48' ' ' LEU . 34.8 m -124.07 149.7 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -130.51 159.76 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.53 145.07 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -125.53 134.77 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -121.04 160.06 24.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.41 160.83 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -120.76 63.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.7 p -142.12 152.94 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.62 120.94 13.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 64.48 53.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.59 -46.24 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 21.0 p-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.654 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.438 HD11 ' OD1' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -138.39 118.39 13.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -123.98 170.7 10.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 1.5 mtmp? -89.63 143.9 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -76.31 -172.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -41.86 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 9' ' ' LEU . 45.6 t -81.72 133.2 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.99 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD12 HG11 ' A' ' 7' ' ' VAL . 18.2 mt -116.15 -35.87 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -139.25 157.76 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.2 p -124.34 157.65 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -143.14 167.27 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 m -89.04 142.31 27.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.55 138.24 25.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.43 148.35 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.3 -42.19 2.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -92.24 94.52 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' OD1' HD11 ' A' ' 1' ' ' LEU . 38.4 m-20 -112.08 6.7 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 1.9 mp -140.03 130.46 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.34 139.78 31.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' C ' ' A' ' 37' ' ' GLY . 8.3 p90 -114.15 144.1 43.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.6 ttpt -127.36 116.1 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 36.7 mtm -102.71 121.23 42.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 61' ' ' HOH . 51.2 p90 -146.59 172.13 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.575 ' N ' ' O ' ' A' ' 61' ' ' HOH . 0.1 OUTLIER -98.75 150.38 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -59.98 -14.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.71 -42.01 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.42 153.83 13.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.42 20.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t60 -132.5 63.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 32' ' ' VAL . 8.5 t -156.59 74.41 4.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.1 159.36 41.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.64 -43.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.689 ' HA ' HD23 ' A' ' 6' ' ' LEU . 11.2 mttt -151.84 141.19 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 4.9 mtp180 -142.22 170.71 15.2 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' C ' ' CE1' ' A' ' 22' ' ' TYR . . . 174.01 -167.81 40.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.82 154.3 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -161.96 178.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -112.13 -46.26 3.22 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.27 154.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.07 134.38 20.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.93 7.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -67.27 155.63 38.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.9 133.89 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 p -109.39 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.4 -54.58 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -61.53 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 m -115.03 154.27 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.66 157.01 46.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -131.24 154.52 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.44 124.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.8 159.51 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.66 143.74 7.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 8.0 p-10 -103.27 69.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 60.8 p -146.24 151.13 37.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.64 119.82 11.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.9 OUTLIER 63.5 52.81 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.55 -47.83 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.278 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 28.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.575 ' O ' ' N ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 13' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -135.95 125.96 26.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.1 m -126.79 -174.46 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.89 151.26 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.5 mtpt -88.74 -170.72 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LYS . 5.4 mp -39.77 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.611 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.5 t -85.88 141.57 35.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.98 54.01 3.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 7' ' ' VAL . 23.9 mt -116.47 -35.72 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -136.52 160.0 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -123.78 154.27 39.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -139.39 150.85 45.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 1' ' ' LEU . 2.8 m -90.9 144.32 25.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.88 118.67 68.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.12 23.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.3 157.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.73 -47.23 3.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 89.56 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -108.38 11.4 27.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 40' ' ' ASP . 58.4 mt -117.17 130.27 56.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.2 m -96.26 128.9 43.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 108.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.1 p90 -127.55 158.34 37.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -144.72 136.67 25.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.1 mtt -112.96 127.81 56.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 14.3 p90 -140.65 171.11 14.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.612 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 14.8 mtt -97.13 149.98 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.7 p -58.97 -14.82 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.59 -42.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -157.6 148.75 16.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.53 8.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.0 t60 -145.34 63.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 31' ' ' HIS . 52.0 t -158.35 81.26 2.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.05 155.72 42.73 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.462 1.769 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 24' ' ' MET . 7.8 p -112.73 -32.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -159.53 160.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -147.27 168.83 20.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.99 179.93 44.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.0 m -103.29 158.71 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -165.45 -176.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.828 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.8 p30 -107.97 -47.74 3.52 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.3 p -112.19 152.02 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.11 137.79 22.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.7 36.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 142.72 57.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -94.81 127.35 40.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -112.18 174.16 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.33 -58.43 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 tp -45.42 -62.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 152.13 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -132.54 152.37 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.41 151.29 48.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.13 143.81 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.7 m -134.55 156.95 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 108.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.53 169.25 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -126.89 68.97 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.5 p -150.28 158.06 43.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.51 126.69 29.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.07 52.35 11.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -89.81 -48.11 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.353 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 14.2 p-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.612 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -102.66 108.42 19.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -118.62 179.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.4 mmtm -93.06 146.84 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -87.25 -169.77 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.31 -69.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 8' ' ' PRO . 99.1 t -88.53 140.2 29.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.02 52.65 3.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.806 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 7' ' ' VAL . 13.0 mt -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.13 163.63 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -119.55 148.82 42.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -129.93 148.77 51.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -96.12 122.18 38.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.62 114.87 22.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.65 24.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.31 157.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 88.55 -41.75 3.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.61 97.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -110.34 15.37 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -128.0 130.74 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.9 m -92.84 128.7 38.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.2 p90 -115.66 150.72 36.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 23.3 pttt -136.93 124.35 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 55.3 mtp -111.26 126.01 54.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.59 167.94 20.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 41.8 mtt -91.08 147.99 22.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -57.94 -15.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.45 -45.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -160.98 154.25 18.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.85 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -142.21 57.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 32' ' ' VAL . 17.5 t -147.43 78.86 9.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.76 35.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.46 -41.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 25.5 ttmt -148.78 155.12 40.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 31.9 mtm180 -154.89 165.15 37.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 179.12 -166.37 35.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.179 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 83.2 m -115.91 154.68 29.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -171.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 14.4 t0 -114.84 -45.36 2.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.65 133.04 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.06 136.83 22.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 108.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 163.16 35.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.803 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -70.57 141.34 51.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -75.59 143.26 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -119.75 178.2 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.15 -56.9 4.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 32.3 tp -48.85 -60.48 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.29 156.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -132.33 152.88 51.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.54 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.34 135.33 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.237 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -119.11 155.89 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.83 147.51 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -109.77 65.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.0 p -143.72 158.21 43.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.02 128.91 37.74 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 16.5 ttpt 51.81 56.2 8.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -98.3 -47.89 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 1' ' ' LEU . 1.5 pt? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.18 129.23 55.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -128.83 -179.13 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' CG ' ' HG2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -89.37 146.26 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.9 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.75 -72.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.612 HG11 HD12 ' A' ' 9' ' ' LEU . 59.1 t -83.06 135.69 44.6 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 53.54 3.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 HG11 ' A' ' 7' ' ' VAL . 9.3 mt -115.11 -33.17 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -141.26 166.53 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 p -127.94 149.29 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -133.09 151.49 52.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 1' ' ' LEU . 15.9 m -92.91 127.5 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.92 140.13 95.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.97 34.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.97 144.27 1.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.33 -49.44 1.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -93.45 95.43 9.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -111.44 16.0 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 55' ' ' ASN . 39.4 mt -129.94 131.22 45.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.2 m -94.94 139.81 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.9 p90 -129.19 153.5 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -139.99 125.51 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.437 ' O ' HG12 ' A' ' 34' ' ' VAL . 88.3 mtp -105.1 123.67 48.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 10.9 p90 -138.29 163.14 32.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.617 ' CB ' ' O ' ' A' ' 61' ' ' HOH . 29.7 mtt -95.95 153.49 17.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.53 -15.26 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.94 -45.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.968 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -146.58 152.29 45.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.39 15.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -136.35 63.07 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.968 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 51.8 t -151.68 87.29 4.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 162.55 37.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 24' ' ' MET . 10.3 p -117.64 -42.63 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.57 141.01 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -128.91 172.3 11.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.53 -175.77 45.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.8 m -106.93 144.9 32.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -174.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.3 p30 -119.96 -41.84 2.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.63 143.4 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 135.24 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 160.55 40.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.48 137.53 57.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.78 131.92 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' VAL . 17.1 p -110.77 175.52 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.92 -53.55 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.32 -55.91 13.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' SER . 20.6 m -124.44 153.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.11 153.99 51.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.546 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 9.1 m-85 -128.54 154.27 46.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.97 146.56 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.73 155.89 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.89 150.51 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HD23 ' A' ' 20' ' ' LEU . 14.6 p30 -110.81 66.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.7 p -144.5 155.03 43.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.19 124.73 22.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' CG ' ' A' ' 4' ' ' LYS . 10.4 mtmm 57.54 55.08 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -96.11 -47.66 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 13.3 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.617 ' O ' ' CB ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HG2' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -135.23 133.83 39.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.98 -179.36 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -87.69 139.87 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -78.18 -170.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -47.28 -63.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 9' ' ' LEU . 88.1 t -85.16 132.7 44.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.18 3.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 7' ' ' VAL . 16.8 mt -116.55 -35.49 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 2.9 m-85 -143.35 164.3 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 p -127.17 153.64 45.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.02 160.05 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 1' ' ' LEU . 2.9 m -85.62 137.52 32.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.9 m -82.01 136.2 47.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 14' ' ' CYS . 18.3 Cg_endo -75.0 164.37 33.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 158.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.49 -46.31 3.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.71 90.64 5.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.405 ' HA ' HD21 ' A' ' 1' ' ' LEU . 17.0 m-80 -109.49 16.64 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 38.2 mt -134.66 132.08 38.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.6 m -94.37 130.05 40.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.3 p90 -112.86 149.4 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 10.3 pttt -138.16 123.72 19.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.554 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.1 mtt -102.8 123.17 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 11.1 p90 -137.85 164.57 28.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.503 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 0.0 OUTLIER -98.99 153.44 18.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.9 p -59.63 -14.41 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.51 -42.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -155.95 151.1 21.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -7.1 18.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.4 t-160 -143.02 65.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.571 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 54.2 t -155.12 83.94 3.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.98 148.95 36.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 24' ' ' MET . 8.1 p -108.3 -33.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 8.2 mttt -156.5 170.74 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.587 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 93.0 mtm-85 -161.31 165.46 29.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.507 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.08 -179.97 48.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 89.0 m -98.64 144.76 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 -179.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.27 -39.28 4.76 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -125.94 155.39 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.98 136.13 20.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 175.65 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 146.92 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -102.29 131.79 48.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 p -108.92 172.48 6.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.49 -45.81 68.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 2.1 tp -55.92 -67.14 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -114.58 153.95 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -132.76 156.15 47.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 10.5 m-85 -127.38 143.44 51.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.85 132.9 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.8 m -122.52 149.94 43.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.07 165.06 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 12.3 p-10 -121.94 64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 25.3 p -145.23 159.64 42.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 2' ' ' LYS . 2.7 m-20 -66.85 131.61 46.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 52.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -91.23 -47.05 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 15.8 p-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.503 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 13' ' ' THR . 3.3 mm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 139.45 24.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.4 174.34 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 58' ' ' LYS . 6.1 mmtp -99.73 144.46 28.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -167.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.29 -64.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 8' ' ' PRO . 86.1 t -90.69 137.66 26.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 54.45 3.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.6 -35.92 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.34 148.52 52.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -123.46 152.62 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 158.28 44.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 1' ' ' LEU . 2.6 m -97.86 141.05 31.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.08 114.42 63.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.75 146.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -39.98 2.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.14 109.47 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 0.773 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.94 2.08 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.8 mp -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.08 141.12 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 1.7 p90 -123.45 148.15 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -136.5 122.48 20.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.513 ' O ' HG12 ' A' ' 34' ' ' VAL . 21.5 mtm -111.15 122.36 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 33' ' ' PRO . 21.0 p90 -144.62 164.51 30.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.761 ' O ' ' O ' ' A' ' 61' ' ' HOH . 28.2 mtm -91.61 146.13 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.3 p -58.89 -14.93 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.79 -43.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -151.61 152.23 30.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.24 16.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 t60 -143.53 70.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.629 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 53.3 t -156.59 80.75 3.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 18.0 Cg_endo -75.02 152.78 41.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 24' ' ' MET . 9.9 p -116.06 -38.6 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.7 ttmt -160.34 144.48 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' CG ' ' HA ' ' A' ' 23' ' ' LYS . 4.7 mpp_? -144.52 171.99 13.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.22 -165.48 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.9 m -97.92 157.03 16.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -164.33 -178.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' HD13 ' A' ' 20' ' ' LEU . 48.3 t0 -109.19 -48.21 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.55 156.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -92.53 138.18 24.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.341 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.3 Cg_endo -74.94 160.81 39.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.01 138.07 57.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.18 128.52 36.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.1 p -109.71 174.82 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -73.15 -48.81 32.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD23 HG13 ' A' ' 49' ' ' VAL . 2.2 tp -55.84 -67.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG13 HD23 ' A' ' 48' ' ' LEU . 21.5 m -111.35 147.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.88 146.27 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -127.51 159.59 34.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -149.23 139.53 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.54 168.56 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.41 143.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -103.61 62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 63.4 p -139.18 143.99 38.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.76 119.82 8.91 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 62.21 55.26 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -87.61 -48.93 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 36.0 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.761 ' O ' ' O ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.95 ' O ' HG23 ' A' ' 13' ' ' THR . 4.4 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -140.6 128.79 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.15 -174.91 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.277 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.23 144.32 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.84 -170.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.97 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.507 HG13 ' HD2' ' A' ' 8' ' ' PRO . 97.3 t -83.64 138.2 41.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.02 53.68 3.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 9' ' ' LEU . 12.5 mt -116.91 -35.46 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -138.12 163.41 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 p -121.77 158.64 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 2.5 mttm -148.12 162.81 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.95 HG23 ' O ' ' A' ' 1' ' ' LEU . 23.2 m -98.83 147.13 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -96.87 131.62 27.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 169.73 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.49 163.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.12 -47.84 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.451 1.094 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -92.89 88.86 6.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -106.66 14.17 27.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 37.5 mt -137.63 131.63 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.3 m -93.69 136.16 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 37' ' ' GLY . 2.8 p90 -114.1 149.98 34.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -135.98 119.58 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 48.2 mtt -103.29 124.47 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 3.7 p90 -138.98 148.38 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.636 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 29.0 mtt -92.63 147.96 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.2 p -59.98 -14.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.4 -40.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.884 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.42 153.25 30.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.63 17.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.16 60.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.884 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 52.9 t -151.78 90.58 3.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.44 38.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 7.7 p -110.87 -39.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -174.73 157.21 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 35' ' ' LYS . 40.9 mtm180 -139.85 174.21 10.74 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.67 -172.43 43.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.6 m -106.15 150.31 25.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.19 -178.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.15 -47.01 3.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.27 156.27 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 135.95 20.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.99 163.11 36.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -62.93 138.22 58.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.18 143.2 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 86.7 p -118.74 -171.41 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -87.01 -47.35 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.812 HD23 HG23 ' A' ' 49' ' ' VAL . 2.2 tp -63.23 -64.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.812 HG23 HD23 ' A' ' 48' ' ' LEU . 19.4 t -109.84 148.63 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 46' ' ' SER . 3.9 tttp -135.93 160.41 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 13.2 m-85 -132.87 154.0 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.98 130.9 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.7 m -112.34 152.27 28.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.03 150.46 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 46.6 p-10 -110.87 66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 81.8 p -145.0 154.26 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.94 123.89 21.04 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.14 54.03 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.93 -45.58 7.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 108.341 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 27.2 p-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.636 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 107.45 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.61 -176.93 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -91.61 147.22 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -81.15 -171.17 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -43.94 -68.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' ' 8' ' ' PRO . 90.4 t -85.43 136.61 37.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.03 53.97 3.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 mt -116.37 -35.54 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -137.13 159.57 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 p -112.62 150.66 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -146.74 151.4 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -97.47 117.97 32.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.2 m -46.4 140.39 5.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.15 147.13 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.51 -49.7 1.85 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -96.74 96.16 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.26 15.94 24.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 40' ' ' ASP . 34.5 mt -126.62 132.28 51.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 m -93.9 133.26 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.636 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 1.6 p90 -129.74 158.87 38.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -145.7 130.58 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 49.1 mtp -107.56 135.53 48.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.9 p90 -148.01 149.14 31.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 40.2 mtt -88.82 136.99 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.5 t -59.24 -14.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.5 -41.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -147.64 148.09 29.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -2.36 12.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -149.12 60.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.792 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 55.9 t -157.54 84.02 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.42 42.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.87 -44.95 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 165.38 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 mtm-85 -130.65 170.63 14.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.636 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -175.84 -172.23 40.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.51 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 51.3 m -120.17 145.19 47.2 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -149.51 178.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.9 p-10 -114.1 -36.62 4.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -114.7 139.15 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.19 120.77 72.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.66 36.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.66 147.45 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -95.9 137.56 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.7 p -112.12 173.35 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.17 -45.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.37 -65.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' CE1' ' A' ' 51' ' ' TYR . 68.0 t -114.03 156.77 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 152.12 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CE1' HG12 ' A' ' 49' ' ' VAL . 5.1 m-85 -130.57 148.5 52.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.1 t -133.45 129.46 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.7 m -120.15 160.4 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.17 167.53 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p30 -127.22 60.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.98 150.3 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.19 119.66 11.29 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.17 52.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.05 -47.21 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 18.7 p-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.57 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 13' ' ' THR . 6.5 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -116.26 111.54 20.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.5 m -126.84 -178.95 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -95.85 149.4 21.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -86.06 -171.8 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.33 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 9' ' ' LEU . 53.8 t -81.75 131.25 58.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.17 3.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.556 HD12 HG11 ' A' ' 7' ' ' VAL . 10.9 mt -116.54 -35.62 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.22 158.74 43.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 p -125.34 149.1 48.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.063 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.57 -175.78 3.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 1.8 m -117.59 133.59 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.44 116.04 51.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.46 16.33 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.58 145.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 100.76 -39.5 2.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.72 104.98 8.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.31 12.53 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.85 131.39 53.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 m -91.57 131.53 36.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.282 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 5.7 p90 -117.07 149.88 39.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.5 ttpt -137.21 115.51 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.474 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.8 mtm -99.23 128.63 45.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.493 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 12.1 p90 -151.35 154.33 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -83.2 148.48 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -59.64 -14.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.37 -42.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.915 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.27 145.4 17.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.98 17.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.28 48.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.645 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 12.4 t -139.65 82.24 18.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.3 Cg_endo -74.99 154.46 42.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' A' ' 35' ' ' LYS . 12.4 p -112.0 -31.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 3.4 ptmt -166.78 170.28 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 55.7 mtm180 -159.98 172.05 18.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 171.14 -173.67 44.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.5 m -100.74 156.42 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -162.52 -178.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 4.0 p-10 -110.31 -48.37 3.18 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.8 p -119.14 146.47 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.86 137.89 23.75 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.97 171.66 17.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -70.6 140.57 51.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 133.52 35.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -114.61 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.2 mt -78.2 -52.69 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -62.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.56 153.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 154.5 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 8.1 m-85 -130.55 144.86 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.4 t -127.45 124.91 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.2 m -112.86 154.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.285 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.47 148.48 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -112.65 66.34 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.4 p -144.72 155.34 43.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.39 123.64 20.54 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.38 54.1 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -94.68 -48.6 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 21.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -112.63 115.89 29.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.7 -178.72 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.33 146.75 23.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 12' ' ' LYS . 38.7 mtmt -83.78 -171.55 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.61 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG11 HD12 ' A' ' 9' ' ' LEU . 76.3 t -84.74 136.33 39.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 52.63 3.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.596 HD12 HG11 ' A' ' 7' ' ' VAL . 16.7 mt -115.73 -34.57 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 7.4 m-85 -139.96 165.42 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -124.21 156.51 36.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . 3.4 tttp -140.49 168.79 18.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 13.0 m -107.1 117.32 33.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.65 113.02 11.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.99 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.01 158.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 90.16 -39.75 3.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.22 97.41 5.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.79 12.62 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -124.06 130.36 52.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 73.5 m -97.43 120.16 37.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -116.17 158.34 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -142.79 131.03 22.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 46.8 mtt -108.29 123.75 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 40.1 p90 -144.34 150.9 38.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mtt -83.14 147.03 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' ALA . 8.4 p -58.78 -15.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.88 -44.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.898 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.18 153.46 41.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.7 17.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -133.75 59.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.898 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 17.9 t -146.77 77.28 11.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.468 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.99 155.14 42.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.39 -33.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 1.1 pttp -159.92 174.27 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 56.7 mtm180 -161.95 169.93 20.27 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.91 -173.96 45.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 m -118.73 152.21 36.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 tt -159.41 -176.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 6.3 t0 -105.17 -46.86 4.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.85 133.43 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.36 134.49 31.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 161.61 38.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' SER . 21.3 tptt -73.46 143.31 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 2.9 m -81.61 138.09 35.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -114.39 172.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.61 -52.58 17.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 49' ' ' VAL . 6.5 tp -54.33 -66.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 ' HG ' ' A' ' 48' ' ' LEU . 88.5 t -111.63 156.17 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.92 157.75 41.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.434 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.7 m-85 -134.96 136.46 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -122.0 129.62 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 50.2 m -118.51 153.99 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -168.13 143.16 3.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.7 69.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 44.1 p -147.18 158.04 43.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.36 127.49 32.47 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.86 53.54 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -93.41 -48.02 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 17.4 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -130.01 129.97 44.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -131.69 -176.31 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -96.83 153.11 18.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -89.96 -171.2 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.532 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 5.1 mp -40.76 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 8' ' ' PRO . 85.3 t -88.42 139.27 30.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.99 54.3 3.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 HG11 ' A' ' 7' ' ' VAL . 13.6 mt -116.78 -35.71 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -135.82 164.98 26.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 p -123.77 155.54 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.89 158.15 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -98.84 139.0 35.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.748 ' O ' HD12 ' A' ' 1' ' ' LEU . 60.2 m -81.43 114.42 49.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.61 35.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.1 151.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.59 -39.66 2.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.93 108.68 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -117.78 5.6 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 55' ' ' ASN . 8.8 mt -119.68 129.6 54.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -87.25 136.27 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 p90 -125.64 150.65 47.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 9.5 ttpt -137.83 122.98 19.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.526 ' O ' HG12 ' A' ' 34' ' ' VAL . 36.6 mtt -108.91 121.32 44.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -141.02 151.27 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -91.44 152.46 20.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 10.3 p -60.05 -14.09 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -37.19 -40.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.927 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -152.65 151.97 27.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -15.13 20.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.9 t-80 -141.21 64.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.927 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 16.5 t -152.82 90.29 3.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' HD2' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.01 162.09 37.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 24' ' ' MET . 7.2 p -118.06 -40.01 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -164.16 140.73 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.532 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 5.3 mtp180 -138.47 171.43 14.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.493 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 170.63 -166.0 39.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.56 152.92 24.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.12 -173.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.5 ' OD1' HG13 ' A' ' 41' ' ' VAL . 4.3 p-10 -116.2 -46.97 2.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG13 ' OD1' ' A' ' 40' ' ' ASP . 30.5 m -112.31 143.23 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 133.56 22.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 108.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.97 159.97 40.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -57.23 144.03 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -93.7 124.84 37.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.3 p -105.8 176.48 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.44 -59.71 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.66 -60.48 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 m -118.52 147.1 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 6.3 m-85 -124.45 151.12 44.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.14 141.59 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.8 m -128.72 152.16 48.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.352 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.42 149.59 8.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB3' HD23 ' A' ' 20' ' ' LEU . 4.2 p30 -108.18 60.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 32.5 p -141.55 162.39 35.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 2.0 m-20 -70.04 137.84 51.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 23.5 pttt 44.37 47.24 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -86.23 -47.6 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 17.2 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.28 105.42 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.1 m -123.34 -173.62 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -98.21 153.62 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 mtmp? -86.24 -170.02 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.803 HD23 ' HB2' ' A' ' 35' ' ' LYS . 2.3 mp -42.25 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.608 HG13 ' HD2' ' A' ' 8' ' ' PRO . 76.9 t -84.39 140.8 39.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD12 HG11 ' A' ' 7' ' ' VAL . 18.6 mt -116.6 -35.21 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -135.35 162.75 31.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p -118.64 159.23 23.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -147.81 155.81 42.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 m -110.56 122.95 49.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.26 117.6 28.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.78 156.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.6 -49.96 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -116.21 109.03 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.98 14.53 13.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 40' ' ' ASP . 3.3 mp -123.14 130.55 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -87.44 133.49 33.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 108.341 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 2.6 p90 -125.45 164.07 21.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 2.9 pttp -149.24 130.07 14.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.4 mtt -104.7 131.17 52.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 18.7 p90 -148.61 148.85 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.64 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 1.0 OUTLIER -79.93 144.14 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 28' ' ' ALA . 9.9 p -58.67 -15.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.03 -43.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.938 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -142.66 149.52 50.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.13 20.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 14.2 t60 -140.52 68.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.938 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 4.3 t -156.95 85.31 2.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -74.97 155.12 43.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.518 1.799 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 24' ' ' MET . 13.8 p -108.93 -36.88 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.803 ' HB2' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -160.93 175.04 12.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -147.7 171.2 16.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -179.84 -167.1 36.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' N ' ' CE2' ' A' ' 22' ' ' TYR . 19.1 m -123.3 141.6 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' HB ' ' CD2' ' A' ' 22' ' ' TYR . 1.5 tt -144.59 -178.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.638 ' O ' HD13 ' A' ' 20' ' ' LEU . 18.5 t0 -112.35 -49.39 2.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.91 130.4 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.0 127.15 92.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.9 39.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -58.44 138.01 56.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -93.26 134.26 35.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 p -109.78 173.13 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.25 -46.67 60.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 tp -55.22 -65.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.1 157.35 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.65 150.42 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.25 148.69 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.9 t -130.02 134.97 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -122.07 162.13 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 139.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -101.73 58.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -137.76 158.27 44.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.7 m-20 -69.63 134.65 48.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ASP . 1.2 ptmt 48.93 47.26 21.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -80.03 -47.77 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.7 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.64 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.683 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -134.12 138.61 45.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 m -140.9 -176.89 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -91.2 141.52 28.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.26 -172.74 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -41.43 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 98.6 t -83.63 133.49 46.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.96 54.15 3.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 15.9 mt -116.4 -35.5 4.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 9' ' ' LEU . 6.9 m-85 -139.18 165.62 26.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -123.67 152.61 41.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -139.37 149.08 43.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 1' ' ' LEU . 1.8 m -85.42 140.34 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -81.8 140.12 47.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.56 35.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.88 151.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.83 -48.79 2.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.43 93.75 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.642 ' ND2' HD21 ' A' ' 1' ' ' LEU . 2.5 m120 -110.05 14.64 22.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.23 130.78 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -92.83 139.86 30.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -121.81 148.28 44.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 60' ' ' ASN . 2.7 tttt -136.01 122.32 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt -104.81 122.97 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 33' ' ' PRO . 23.8 p90 -141.68 145.65 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.3 mtp -82.09 153.59 26.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.7 t -60.38 -13.72 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.9 -36.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.967 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -148.48 153.77 40.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.07 18.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -146.27 69.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.967 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 42.8 t -151.75 88.43 4.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 18.4 Cg_endo -75.05 153.46 41.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' LYS . 5.4 p -109.96 -46.87 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 5.1 mtpm? -144.29 157.66 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 2.5 mpp_? -144.97 172.17 13.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . 176.44 179.93 47.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 67.5 m -103.74 152.69 21.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -168.99 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -117.84 -42.0 2.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -110.56 139.49 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 138.43 20.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.31 40.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 146.84 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -92.82 128.88 38.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.9 p -107.19 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.55 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tp -46.99 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.48 151.62 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.74 158.87 43.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -131.45 160.0 36.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.41 136.64 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 m -123.08 154.9 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.13 144.71 4.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.19 64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.428 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 9.0 p -139.88 154.38 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.58 124.43 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.47 52.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -92.24 -45.87 8.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 23' ' ' LYS . 18.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 13' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 111.35 19.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 m -128.09 -177.66 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.302 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 152.09 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.22 -171.04 3.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.572 HD23 ' HG2' ' A' ' 35' ' ' LYS . 2.8 mp -45.56 -65.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.654 HG11 HD12 ' A' ' 9' ' ' LEU . 92.7 t -85.16 134.54 40.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.654 HD12 HG11 ' A' ' 7' ' ' VAL . 27.0 mt -116.28 -35.8 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -138.41 164.45 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -124.77 152.24 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 -177.82 5.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 1' ' ' LEU . 10.9 m -117.32 133.2 56.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.89 125.84 90.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 108.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.49 150.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 40' ' ' ASP . . . 92.58 -49.45 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 97.26 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' HD11 ' A' ' 1' ' ' LEU . 9.9 m-80 -114.77 16.09 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -124.1 131.24 53.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 127.08 42.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 108.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.7 p90 -114.72 154.12 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 8.5 pttt -139.61 124.28 18.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.3 mtm -108.0 134.54 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -147.8 163.12 37.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.605 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 16.4 mtt -92.66 149.53 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ALA . 11.1 p -57.77 -15.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' VAL . . . -36.44 -46.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -151.91 143.49 15.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 18.3 Cg_endo -74.95 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.5 t-80 -142.61 54.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 46.4 t -152.7 87.83 4.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.69 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.72 -43.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' HD23 ' A' ' 6' ' ' LEU . 11.8 mttt -151.91 162.08 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 41.3 mtm180 -156.87 162.73 39.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.94 -173.6 45.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.97 157.7 16.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 tt -165.53 -176.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -111.61 -47.46 3.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.32 138.23 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 137.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 165.74 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -68.62 145.02 54.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.25 127.98 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 p -109.55 173.13 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.93 -59.85 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -46.76 -63.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.44 150.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.24 151.93 51.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -131.49 148.24 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.9 t -134.99 137.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.8 m -115.95 160.07 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -170.37 144.61 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -105.74 58.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.4 p -134.96 154.69 51.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.84 126.08 27.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 53.04 7.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -97.28 -46.21 6.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 23.4 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.605 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_