data_1dsq_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 1dsq _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 ' 29' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.811 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p -94.0 135.92 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -92.52 113.95 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.43 13.11 5.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -45.94 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 20.0 p -105.96 -34.79 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.231 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.55 26.29 12.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 p -123.62 145.93 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.41 8.25 12.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -176.39 154.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.2 mp -98.29 160.71 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -49.51 -53.85 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.88 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 3.2 m-20 -78.49 -25.61 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.276 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.67 137.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -93.57 113.79 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 12.94 6.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.66 -45.67 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 20.5 p -106.24 -34.45 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.5 26.03 12.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -176.31 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 0.816 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 p -124.98 144.03 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.21 11.31 9.02 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 19.0 p-80 -176.35 154.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.718 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.97 162.21 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -55.18 16.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.21 -28.56 62.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 8.1 m-20 -78.62 -28.6 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.478 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.61 138.12 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -94.38 113.52 25.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.35 12.52 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.04 -45.93 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 21.0 p -105.9 -34.36 7.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 108.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.37 26.31 12.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -176.05 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.14 143.73 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.19 8.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.3 p-80 -176.4 153.88 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.09 162.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 40' ' ' ILE . 11.9 pttp -50.36 -55.44 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -27.8 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.91 -28.91 43.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 108.247 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.935 -0.448 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.7 137.35 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -93.71 113.84 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.72 13.23 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 m -108.05 -44.97 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 21.9 p -106.95 -33.48 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.18 26.49 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -102.57 -176.21 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.96 11.03 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.603 1.19 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -176.36 153.98 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.43 162.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -50.29 -55.25 16.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.45 -27.78 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 5.0 m-20 -79.63 -28.26 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.3 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.92 137.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.5 t -94.11 112.79 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 108.395 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.19 10.72 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.68 -47.68 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 18.7 p -103.89 -36.54 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 26.01 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -176.25 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -124.45 146.09 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.04 11.55 9.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.142 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.8 p-80 -176.39 154.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.625 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.3 162.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -50.24 -54.95 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -57.54 -28.19 63.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.34 -28.65 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 p -96.47 133.57 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 45.5 t -90.42 115.03 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.284 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.531 ' O ' ' CG ' ' A' ' 32' ' ' PHE . 26.4 t80 -85.83 15.24 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.4 t -110.86 -42.93 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 22.8 p -109.27 -32.47 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.48 26.77 16.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -102.73 -176.1 3.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -123.53 144.99 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.06 3.88 17.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -176.19 154.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.561 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.49 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -99.03 161.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' N ' HG23 ' A' ' 40' ' ' ILE . 1.6 tmtt? -49.25 -54.38 17.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.54 -30.38 65.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 1.6 m-20 -81.27 -20.89 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 108.343 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.944 -0.444 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.99 136.96 26.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.0 t -93.79 112.77 24.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.34 11.22 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -46.85 4.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 18.6 p -104.7 -37.09 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 108.238 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.31 26.49 9.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 -175.83 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -124.36 148.92 47.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 11.55 12.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.5 p-80 -176.42 154.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.51 161.99 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -50.14 -55.03 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.42 -28.21 63.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -78.33 -28.78 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.223 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -97.76 134.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.05 114.01 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.43 13.48 5.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -108.37 -45.16 3.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.958 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.06 -34.84 7.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.88 25.88 12.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -101.43 -176.1 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.79 144.35 49.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.77 7.19 15.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -176.23 155.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.607 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.478 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -101.0 160.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.0 -53.52 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.91 -32.87 68.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.249 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.71 135.59 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 48.5 t -91.67 114.22 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 108.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.58 13.71 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.69 -45.06 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 20.0 p -107.12 -34.65 7.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 108.368 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -175.79 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.55 142.88 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.23 8.82 10.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -176.37 154.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -100.53 160.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -48.51 -54.39 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 ptt180 -57.08 -31.89 65.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 3.9 m-20 -77.73 -26.09 49.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.58 137.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 48.9 t -93.54 113.71 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.28 11.4 6.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.3 m -105.64 -47.41 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 13.4 p -104.47 -36.61 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.19 24.43 11.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -175.94 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -124.52 144.43 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.07 10.91 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.6 p-80 -176.44 154.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.547 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 4.1 mp -98.79 162.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -50.23 -55.34 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -57.11 -28.09 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.74 -29.2 45.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.18 137.17 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 49.3 t -93.42 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.98 12.19 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -46.64 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 19.9 p -105.14 -35.33 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.41 26.37 11.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -176.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.13 147.55 47.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.86 10.47 16.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.36 1.038 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -176.1 155.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.483 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.34 158.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -52.26 17.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -58.85 -34.18 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.483 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 1.8 m-20 -74.8 -23.02 58.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 108.317 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.0 135.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 47.2 t -91.6 115.23 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.74 15.1 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 21.4 p -108.18 -32.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.06 17.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.47 -176.05 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.31 143.52 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.8 8.3 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -176.36 154.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.89 160.73 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -49.32 -54.23 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -30.25 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.474 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.6 m-20 -78.75 -23.51 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.463 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.3 p -97.95 136.59 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 48.7 t -93.59 112.97 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -84.16 12.62 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -106.99 -44.62 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 22.7 p -107.25 -35.15 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.18 26.99 10.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 -176.28 3.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.51 147.74 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 8.0 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -176.22 155.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 0.774 . . . . 0.0 109.544 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.477 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.29 161.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -53.87 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CD ' ' OD1' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -57.83 -30.1 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.481 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 1.6 m-20 -80.9 -21.82 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.18 135.27 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 47.8 t -91.3 114.74 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.343 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.3 14.4 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -44.8 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 21.4 p -107.27 -33.34 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.89 26.07 15.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -176.23 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.1 142.83 50.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.63 7.86 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -176.28 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.83 161.19 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -49.52 -54.52 17.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -57.56 -29.99 64.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.5 m-20 -79.15 -23.63 43.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.21 135.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 47.7 t -91.36 114.98 27.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.394 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 14.86 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -110.45 -44.19 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 21.4 p -107.86 -32.5 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.23 17.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -176.3 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.88 145.0 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.97 7.27 15.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -176.08 155.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.481 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.94 160.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -49.14 -53.8 19.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -58.15 -30.63 66.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.481 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.0 m-20 -78.7 -20.2 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.288 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.09 135.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 47.0 t -91.76 114.96 27.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 108.264 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.7 15.07 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 22.2 p -108.03 -31.9 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 26.45 18.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.423 1.077 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -176.42 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 p -123.94 145.13 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.87 7.69 14.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -176.22 154.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.479 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.39 161.18 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 40' ' ' ILE . 4.5 ttpt -49.5 -54.16 19.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -29.87 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.5 m-20 -79.06 -20.71 48.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.291 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.14 134.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 46.4 t -91.06 115.4 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.08 15.6 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 -43.19 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 22.7 p -108.97 -31.46 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.34 26.54 20.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -102.73 -175.99 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 p -123.53 147.42 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.29 5.68 20.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -176.27 154.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.53 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.484 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.69 160.61 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.98 -54.13 16.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.84 -30.81 66.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.0 m-20 -79.47 -20.5 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.323 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.66 137.77 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.3 t -93.78 113.45 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.25 12.32 6.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -46.03 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 21.3 p -105.64 -34.57 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.39 26.62 11.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -102.69 -176.56 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.02 143.61 50.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.88 8.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.0 p-80 -176.19 154.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.03 162.05 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -50.41 -54.83 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -57.78 -28.04 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 9.8 m-20 -78.4 -28.45 46.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.285 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.84 134.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 46.6 t -91.09 115.38 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.349 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.94 15.57 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -43.41 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 22.0 p -108.85 -31.48 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.54 26.33 20.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -101.92 -175.98 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -123.97 146.04 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.374 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.2 6.39 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -176.13 154.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.477 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.85 160.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -49.22 -54.06 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.1 ttt180 -57.9 -30.66 66.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.477 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.0 m-20 -79.05 -20.69 48.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.238 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.94 135.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 48.5 t -92.26 114.37 26.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -85.46 14.19 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 -43.9 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 23.0 p -108.09 -32.52 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.87 26.68 16.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -176.45 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.29 146.1 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.92 8.18 18.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -176.01 154.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.94 160.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -49.02 -53.41 20.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 1.6 ptm180 -58.49 -31.13 67.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 1.7 m-20 -78.79 -17.56 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 108.281 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.51 -152.8 5.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.142 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo -74.98 125.89 9.63 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p -94.0 135.92 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.52 113.95 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.43 13.11 5.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -45.94 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -105.96 -34.79 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.231 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.55 26.29 12.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 p -123.62 145.93 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.41 8.25 12.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -176.39 154.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.2 mp -98.29 160.71 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -49.51 -53.85 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.88 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 3.2 m-20 -78.49 -25.61 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.98 125.88 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.27 63.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 2.1 pt-20 -76.94 -32.09 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 4.3 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.82 -75.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.1 131.21 13.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.67 137.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -93.57 113.79 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 12.94 6.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.66 -45.67 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.24 -34.45 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.5 26.03 12.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -176.31 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 0.816 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 p -124.98 144.03 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.21 11.31 9.02 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 19.0 p-80 -176.35 154.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.718 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.97 162.21 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -55.18 16.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.21 -28.56 62.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 8.1 m-20 -78.62 -28.6 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -79.45 110.81 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 64.06 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -172.59 -46.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.66 -162.87 34.81 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.478 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.05 129.96 12.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.61 138.12 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -94.38 113.52 25.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.35 12.52 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.04 -45.93 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 p -105.9 -34.36 7.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.37 26.31 12.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -176.05 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.14 143.73 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.19 8.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.3 p-80 -176.4 153.88 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.09 162.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 40' ' ' ILE . 11.9 pttp -50.36 -55.44 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -27.8 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.91 -28.91 43.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -79.49 122.61 26.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 108.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -98.88 82.3 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -157.04 -59.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.83 65.82 3.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.01 129.85 12.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.7 137.35 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -93.71 113.84 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.72 13.23 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 m -108.05 -44.97 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.95 -33.48 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.18 26.49 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -102.57 -176.21 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.96 11.03 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.603 1.19 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -176.36 153.98 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.43 162.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -50.29 -55.25 16.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.45 -27.78 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 5.0 m-20 -79.63 -28.26 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 t -78.87 67.3 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.04 63.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -32.6 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.12 -147.05 4.85 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.92 137.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.5 t -94.11 112.79 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 108.395 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.19 10.72 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.68 -47.68 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.89 -36.54 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 26.01 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -176.25 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -124.45 146.09 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.04 11.55 9.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.142 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.8 p-80 -176.39 154.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.625 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.3 162.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -50.24 -54.95 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -57.54 -28.19 63.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -78.34 -28.65 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -80.04 106.3 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 63.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -65.36 -47.1 77.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 162.04 1.74 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.61 1.194 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.6 Cg_endo -74.97 133.13 16.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 p -96.47 133.57 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.42 115.03 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.531 ' O ' ' CG ' ' A' ' 32' ' ' PHE . 26.4 t80 -85.83 15.24 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.4 t -110.86 -42.93 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -109.27 -32.47 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.48 26.77 16.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -102.73 -176.1 3.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -123.53 144.99 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.06 3.88 17.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -176.19 154.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.561 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.49 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -99.03 161.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' N ' HG23 ' A' ' 40' ' ' ILE . 1.6 tmtt? -49.25 -54.38 17.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.54 -30.38 65.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.49 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 1.6 m-20 -81.27 -20.89 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t -75.67 103.33 5.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -145.94 85.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -165.63 -60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LYS . . . -37.54 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 126.67 10.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.99 136.96 26.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.0 t -93.79 112.77 24.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.34 11.22 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -46.85 4.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 p -104.7 -37.09 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 108.238 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.31 26.49 9.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 -175.83 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -124.36 148.92 47.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 11.55 12.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.5 p-80 -176.42 154.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.51 161.99 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -50.14 -55.03 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.42 -28.21 63.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -78.33 -28.78 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.17 156.84 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.223 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 68.19 70.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -136.48 -46.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.43 -61.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.1 Cg_endo -74.98 133.62 16.84 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -97.76 134.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.05 114.01 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.43 13.48 5.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -108.37 -45.16 3.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.958 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.06 -34.84 7.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.88 25.88 12.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -101.43 -176.1 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.79 144.35 49.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.77 7.19 15.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -176.23 155.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.607 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.478 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -101.0 160.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.0 -53.52 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.91 -32.87 68.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 4.3 t -82.14 113.81 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.249 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 42.0 mttt -159.18 65.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.7 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.6 92.67 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.17 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.4 Cg_endo -74.94 134.73 18.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.71 135.59 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.67 114.22 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 108.374 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.58 13.71 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.69 -45.06 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -107.12 -34.65 7.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 108.368 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -175.79 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.55 142.88 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.23 8.82 10.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -176.37 154.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -100.53 160.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -48.51 -54.39 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 ptt180 -57.08 -31.89 65.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 3.9 m-20 -77.73 -26.09 49.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.4 t -79.16 75.71 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmt? -87.34 70.66 10.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.68 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.58 158.96 8.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.03 136.74 20.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.58 137.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 48.9 t -93.54 113.71 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.28 11.4 6.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.3 m -105.64 -47.41 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.4 p -104.47 -36.61 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.19 24.43 11.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -175.94 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -124.52 144.43 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.07 10.91 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.6 p-80 -176.44 154.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.547 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 4.1 mp -98.79 162.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -50.23 -55.34 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -57.11 -28.09 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.74 -29.2 45.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.02 129.92 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -128.92 76.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -153.11 -60.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.29 95.12 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 126.49 9.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.18 137.17 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -93.42 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.98 12.19 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -46.64 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.14 -35.33 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.41 26.37 11.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -176.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.13 147.55 47.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.86 10.47 16.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.36 1.038 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -176.1 155.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.483 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.34 158.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -52.26 17.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -58.85 -34.18 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.483 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 1.8 m-20 -74.8 -23.02 58.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.35 125.54 30.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.91 64.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 47' ' ' GLU . 1.6 pm0 -66.12 -27.22 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.21 31.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 132.73 15.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.0 135.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.2 t -91.6 115.23 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.74 15.1 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -108.18 -32.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.06 17.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.47 -176.05 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.31 143.52 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.8 8.3 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -176.36 154.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.89 160.73 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -49.32 -54.23 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -30.25 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.474 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.6 m-20 -78.75 -23.51 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -81.24 154.64 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 80.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.59 -19.19 64.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.78 -63.19 0.06 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.422 1.076 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.463 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.4 Cg_endo -74.88 130.68 13.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.3 p -97.95 136.59 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.7 t -93.59 112.97 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -84.16 12.62 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -106.99 -44.62 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.25 -35.15 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.18 26.99 10.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 -176.28 3.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.51 147.74 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 8.0 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -176.22 155.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 0.774 . . . . 0.0 109.544 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.477 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.29 161.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -53.87 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CD ' ' OD1' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -57.83 -30.1 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.481 ' OD1' ' CD ' ' A' ' 42' ' ' ARG . 1.6 m-20 -80.9 -21.82 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.51 142.44 40.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.79 68.56 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.37 -33.1 32.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.259 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.94 159.45 13.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.05 129.94 12.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.18 135.27 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.8 t -91.3 114.74 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.3 14.4 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -44.8 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.27 -33.34 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.89 26.07 15.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -176.23 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.1 142.83 50.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.63 7.86 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -176.28 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.83 161.19 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -49.52 -54.52 17.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -57.56 -29.99 64.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.5 m-20 -79.15 -23.63 43.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.97 137.59 36.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 44.32 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.18 -28.42 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 161.38 47.08 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.02 131.81 14.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.21 135.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.7 t -91.36 114.98 27.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.394 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 14.86 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -110.45 -44.19 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.86 -32.5 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.23 17.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -176.3 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.88 145.0 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.97 7.27 15.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -176.08 155.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.481 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.94 160.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -49.14 -53.8 19.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -58.15 -30.63 66.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.481 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.0 m-20 -78.7 -20.2 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.05 97.14 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.288 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -163.09 71.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -85.79 -60.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.54 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.2 Cg_endo -74.96 129.42 12.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.09 135.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -91.76 114.96 27.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 108.264 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.7 15.07 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 p -108.03 -31.9 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 26.45 18.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.423 1.077 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -176.42 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 p -123.94 145.13 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.87 7.69 14.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -176.22 154.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.479 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.39 161.18 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 40' ' ' ILE . 4.5 ttpt -49.5 -54.16 19.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -29.87 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.5 m-20 -79.06 -20.71 48.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.28 111.89 17.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 67.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.208 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -89.78 -67.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.281 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.55 160.08 24.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.569 1.168 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.11 129.17 12.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.14 134.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.4 t -91.06 115.4 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.08 15.6 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 -43.19 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.97 -31.46 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.34 26.54 20.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -102.73 -175.99 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 p -123.53 147.42 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.29 5.68 20.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -176.27 154.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.53 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.484 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.69 160.61 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.98 -54.13 16.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.84 -30.81 66.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.0 m-20 -79.47 -20.5 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -77.62 108.36 10.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.95 86.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -21.04 57.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.249 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.91 -169.07 18.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.0 Cg_endo -75.15 128.43 11.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.66 137.77 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.3 t -93.78 113.45 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.25 12.32 6.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -46.03 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -105.64 -34.57 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.39 26.62 11.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -102.69 -176.56 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.02 143.61 50.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.88 8.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.0 p-80 -176.19 154.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 29' ' ' PRO . 3.3 mp -98.03 162.05 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -50.41 -54.83 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -57.78 -28.04 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 9.8 m-20 -78.4 -28.45 46.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.07 108.83 13.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.285 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -171.74 80.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.96 -60.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.55 64.98 3.88 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.5 Cg_endo -74.97 131.82 14.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.828 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.84 134.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.6 t -91.09 115.38 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.94 15.57 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -43.41 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 p -108.85 -31.48 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 108.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.54 26.33 20.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -101.92 -175.98 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -123.97 146.04 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.374 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.2 6.39 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -176.13 154.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.477 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.85 160.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -49.22 -54.06 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.1 ttt180 -57.9 -30.66 66.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.477 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 2.0 m-20 -79.05 -20.69 48.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t -78.19 105.02 9.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.238 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.31 60.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -111.76 -60.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 pttt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.4 70.2 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.433 1.083 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 18.3 Cg_endo -74.9 128.23 11.4 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.532 1.806 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.94 135.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -92.26 114.37 26.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -85.46 14.19 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 -43.9 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.09 -32.52 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.87 26.68 16.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -176.45 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.29 146.1 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.92 8.18 18.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -176.01 154.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CD1' ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.94 160.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -49.02 -53.41 20.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 1.6 ptm180 -58.49 -31.13 67.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' OD2' ' CD1' ' A' ' 40' ' ' ILE . 1.7 m-20 -78.79 -17.56 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.8 79.07 9.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -169.95 55.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -160.59 -44.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.589 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.811 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p -94.0 135.92 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.52 113.95 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.43 13.11 5.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -45.94 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -105.96 -34.79 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.231 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.55 26.29 12.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 p -123.62 145.93 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.41 8.25 12.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -176.39 154.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.2 mp -98.29 160.71 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.0 tptt -49.51 -53.85 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.88 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.2 m-20 -78.49 -25.61 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.276 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.67 137.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -93.57 113.79 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 12.94 6.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.66 -45.67 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.24 -34.45 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.5 26.03 12.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -176.31 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 0.816 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 p -124.98 144.03 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.21 11.31 9.02 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 19.0 p-80 -176.35 154.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.718 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.97 162.21 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -50.12 -55.18 16.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.21 -28.56 62.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.687 ' OD2' HD12 ' A' ' 40' ' ' ILE . 8.1 m-20 -78.62 -28.6 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.61 138.12 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -94.38 113.52 25.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.35 12.52 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.04 -45.93 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 p -105.9 -34.36 7.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.37 26.31 12.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -176.05 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.14 143.73 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.19 8.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.3 p-80 -176.4 153.88 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.664 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.09 162.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 11.9 pttp -50.36 -55.44 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -27.8 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.664 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.2 m-20 -78.91 -28.91 43.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 108.247 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.935 -0.448 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.7 137.35 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -93.71 113.84 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.72 13.23 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 m -108.05 -44.97 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.95 -33.48 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.18 26.49 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -102.57 -176.21 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.96 11.03 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.603 1.19 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -176.36 153.98 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.685 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.43 162.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -50.29 -55.25 16.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.45 -27.78 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.685 ' OD2' HD12 ' A' ' 40' ' ' ILE . 5.0 m-20 -79.63 -28.26 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.3 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.92 137.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.5 t -94.11 112.79 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 108.395 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.19 10.72 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.68 -47.68 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.89 -36.54 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 26.01 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -176.25 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -124.45 146.09 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.04 11.55 9.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.142 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.8 p-80 -176.39 154.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.625 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.64 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.3 162.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 40' ' ' ILE . 21.8 pttt -50.24 -54.95 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -57.54 -28.19 63.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 40' ' ' ILE . 7.4 m-20 -78.34 -28.65 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 p -96.47 133.57 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.42 115.03 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.531 ' O ' ' CG ' ' A' ' 32' ' ' PHE . 26.4 t80 -85.83 15.24 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.4 t -110.86 -42.93 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -109.27 -32.47 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.48 26.77 16.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -102.73 -176.1 3.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -123.53 144.99 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.06 3.88 17.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -176.19 154.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.561 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.718 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -99.03 161.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 40' ' ' ILE . 1.6 tmtt? -49.25 -54.38 17.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.54 -30.38 65.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -81.27 -20.89 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 108.343 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.944 -0.444 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.99 136.96 26.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.0 t -93.79 112.77 24.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.34 11.22 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -46.85 4.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 p -104.7 -37.09 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 108.238 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.31 26.49 9.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 -175.83 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -124.36 148.92 47.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 11.55 12.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.5 p-80 -176.42 154.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.621 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.51 161.99 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.6 pttt -50.14 -55.03 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.42 -28.21 63.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.621 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.7 m-20 -78.33 -28.78 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.223 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -97.76 134.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.05 114.01 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.43 13.48 5.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -108.37 -45.16 3.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.958 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.06 -34.84 7.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.88 25.88 12.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -101.43 -176.1 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.79 144.35 49.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.77 7.19 15.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -176.23 155.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.607 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -101.0 160.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -48.0 -53.52 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.91 -32.87 68.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.249 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.655 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.71 135.59 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.67 114.22 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 108.374 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.58 13.71 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.69 -45.06 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -107.12 -34.65 7.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 108.368 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -175.79 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.55 142.88 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.23 8.82 10.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -176.37 154.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.732 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -100.53 160.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.51 -54.39 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 ptt180 -57.08 -31.89 65.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.732 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.9 m-20 -77.73 -26.09 49.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.619 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.58 137.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 48.9 t -93.54 113.71 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.28 11.4 6.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.3 m -105.64 -47.41 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.4 p -104.47 -36.61 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.19 24.43 11.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -175.94 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -124.52 144.43 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.07 10.91 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.6 p-80 -176.44 154.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.547 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 29' ' ' PRO . 4.1 mp -98.79 162.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -50.23 -55.34 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -57.11 -28.09 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.6 m-20 -78.74 -29.2 45.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.18 137.17 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -93.42 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.98 12.19 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -46.64 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.14 -35.33 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.41 26.37 11.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -176.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.13 147.55 47.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.86 10.47 16.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.36 1.038 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -176.1 155.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.34 158.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -47.45 -52.26 17.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -58.85 -34.18 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.758 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.8 m-20 -74.8 -23.02 58.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 108.317 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.0 135.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.2 t -91.6 115.23 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.74 15.1 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -108.18 -32.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.06 17.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.47 -176.05 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.31 143.52 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.8 8.3 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -176.36 154.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.689 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.89 160.73 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 10.9 tttm -49.32 -54.23 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -30.25 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.689 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.6 m-20 -78.75 -23.51 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 13.3 p -97.95 136.59 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.7 t -93.59 112.97 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 33.7 m-85 -84.16 12.62 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -106.99 -44.62 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.25 -35.15 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.18 26.99 10.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 -176.28 3.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.51 147.74 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 8.0 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -176.22 155.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 0.774 . . . . 0.0 109.544 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.726 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.29 161.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -49.47 -53.87 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CD ' ' OD1' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -57.83 -30.1 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.726 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -80.9 -21.82 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.614 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.18 135.27 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.8 t -91.3 114.74 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.3 14.4 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -44.8 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.27 -33.34 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.89 26.07 15.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -176.23 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.1 142.83 50.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.63 7.86 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -176.28 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.83 161.19 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -49.52 -54.52 17.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -57.56 -29.99 64.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.727 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.15 -23.63 43.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.21 135.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.7 t -91.36 114.98 27.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.394 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 14.86 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -110.45 -44.19 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.86 -32.5 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.23 17.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -176.3 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.88 145.0 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.97 7.27 15.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -176.08 155.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.94 160.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 40' ' ' ILE . 6.3 tttp -49.14 -53.8 19.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -58.15 -30.63 66.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.714 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -78.7 -20.2 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.288 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.615 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.09 135.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -91.76 114.96 27.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 108.264 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.7 15.07 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 p -108.03 -31.9 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 26.45 18.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.423 1.077 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -176.42 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 p -123.94 145.13 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.87 7.69 14.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -176.22 154.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.39 161.18 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 4.5 ttpt -49.5 -54.16 19.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -29.87 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.743 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.06 -20.71 48.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.291 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.14 134.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.4 t -91.06 115.4 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.08 15.6 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 -43.19 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.97 -31.46 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.34 26.54 20.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -102.73 -175.99 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 p -123.53 147.42 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.29 5.68 20.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -176.27 154.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.53 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.69 160.61 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.98 -54.13 16.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.84 -30.81 66.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.742 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.47 -20.5 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.323 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.66 137.77 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.3 t -93.78 113.45 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.25 12.32 6.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -46.03 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -105.64 -34.57 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.39 26.62 11.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -102.69 -176.56 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.02 143.61 50.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.88 8.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.0 p-80 -176.19 154.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.03 162.05 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.5 pttm -50.41 -54.83 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -57.78 -28.04 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 9.8 m-20 -78.4 -28.45 46.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.285 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.84 134.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.6 t -91.09 115.38 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.94 15.57 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -43.41 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 p -108.85 -31.48 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 108.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.54 26.33 20.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -101.92 -175.98 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -123.97 146.04 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.374 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.2 6.39 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -176.13 154.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.71 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.85 160.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -49.22 -54.06 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.1 ttt180 -57.9 -30.66 66.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.71 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.05 -20.69 48.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.238 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.94 135.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -92.26 114.37 26.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -85.46 14.19 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 -43.9 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.09 -32.52 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.87 26.68 16.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -176.45 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.29 146.1 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.92 8.18 18.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -176.01 154.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.94 160.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.3 ttpp -49.02 -53.41 20.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 1.6 ptm180 -58.49 -31.13 67.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.7 m-20 -78.79 -17.56 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 108.281 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.51 -152.8 5.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.142 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.589 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -74.98 125.89 9.63 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p -94.0 135.92 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.52 113.95 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.43 13.11 5.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -45.94 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -105.96 -34.79 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.231 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.55 26.29 12.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 p -123.62 145.93 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.41 8.25 12.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -176.39 154.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.2 mp -98.29 160.71 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.0 tptt -49.51 -53.85 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.88 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.2 m-20 -78.49 -25.61 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.98 125.88 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.27 63.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 2.1 pt-20 -76.94 -32.09 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 4.3 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.82 -75.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.1 131.21 13.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.67 137.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -93.57 113.79 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 12.94 6.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.66 -45.67 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.24 -34.45 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.5 26.03 12.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -176.31 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 0.816 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 p -124.98 144.03 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.21 11.31 9.02 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 19.0 p-80 -176.35 154.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.718 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.97 162.21 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -50.12 -55.18 16.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.21 -28.56 62.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.687 ' OD2' HD12 ' A' ' 40' ' ' ILE . 8.1 m-20 -78.62 -28.6 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -79.45 110.81 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 64.06 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -172.59 -46.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.66 -162.87 34.81 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.05 129.96 12.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.61 138.12 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -94.38 113.52 25.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.35 12.52 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.04 -45.93 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 p -105.9 -34.36 7.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.37 26.31 12.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -176.05 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.14 143.73 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.19 8.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.3 p-80 -176.4 153.88 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.664 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.09 162.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 11.9 pttp -50.36 -55.44 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -27.8 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.664 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.2 m-20 -78.91 -28.91 43.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -79.49 122.61 26.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 108.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -98.88 82.3 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -157.04 -59.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.83 65.82 3.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.01 129.85 12.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.7 137.35 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -93.71 113.84 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.72 13.23 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 m -108.05 -44.97 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.95 -33.48 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.18 26.49 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -102.57 -176.21 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.96 11.03 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.603 1.19 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -176.36 153.98 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.685 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.43 162.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -50.29 -55.25 16.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.45 -27.78 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.685 ' OD2' HD12 ' A' ' 40' ' ' ILE . 5.0 m-20 -79.63 -28.26 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 t -78.87 67.3 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.04 63.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -32.6 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.12 -147.05 4.85 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.92 137.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.5 t -94.11 112.79 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 108.395 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.19 10.72 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.68 -47.68 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.89 -36.54 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 26.01 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -176.25 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -124.45 146.09 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.04 11.55 9.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.142 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.8 p-80 -176.39 154.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.625 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.64 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.3 162.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 40' ' ' ILE . 21.8 pttt -50.24 -54.95 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -57.54 -28.19 63.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 40' ' ' ILE . 7.4 m-20 -78.34 -28.65 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -80.04 106.3 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 63.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -65.36 -47.1 77.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 162.04 1.74 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.61 1.194 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.6 Cg_endo -74.97 133.13 16.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 p -96.47 133.57 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.42 115.03 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.531 ' O ' ' CG ' ' A' ' 32' ' ' PHE . 26.4 t80 -85.83 15.24 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.4 t -110.86 -42.93 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -109.27 -32.47 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.48 26.77 16.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -102.73 -176.1 3.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -123.53 144.99 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.06 3.88 17.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -176.19 154.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.561 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.718 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -99.03 161.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 40' ' ' ILE . 1.6 tmtt? -49.25 -54.38 17.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.54 -30.38 65.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -81.27 -20.89 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t -75.67 103.33 5.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -145.94 85.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -165.63 -60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LYS . . . -37.54 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 126.67 10.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.99 136.96 26.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.0 t -93.79 112.77 24.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.34 11.22 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -46.85 4.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 p -104.7 -37.09 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 108.238 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.31 26.49 9.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 -175.83 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -124.36 148.92 47.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 11.55 12.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.5 p-80 -176.42 154.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.621 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.51 161.99 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.6 pttt -50.14 -55.03 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.42 -28.21 63.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.621 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.7 m-20 -78.33 -28.78 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.17 156.84 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.223 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 68.19 70.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -136.48 -46.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.43 -61.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo -74.98 133.62 16.84 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -97.76 134.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.05 114.01 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.43 13.48 5.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -108.37 -45.16 3.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.958 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.06 -34.84 7.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.88 25.88 12.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -101.43 -176.1 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.79 144.35 49.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.77 7.19 15.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -176.23 155.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.607 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -101.0 160.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -48.0 -53.52 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.91 -32.87 68.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 4.3 t -82.14 113.81 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.249 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 42.0 mttt -159.18 65.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.7 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.6 92.67 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.17 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.655 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo -74.94 134.73 18.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.71 135.59 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.67 114.22 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 108.374 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.58 13.71 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.69 -45.06 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -107.12 -34.65 7.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 108.368 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -175.79 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.55 142.88 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.23 8.82 10.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -176.37 154.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.732 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -100.53 160.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.51 -54.39 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 ptt180 -57.08 -31.89 65.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.732 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.9 m-20 -77.73 -26.09 49.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.4 t -79.16 75.71 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmt? -87.34 70.66 10.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.68 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.58 158.96 8.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.619 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.03 136.74 20.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.58 137.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 48.9 t -93.54 113.71 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.28 11.4 6.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.3 m -105.64 -47.41 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.4 p -104.47 -36.61 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.19 24.43 11.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -175.94 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -124.52 144.43 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.07 10.91 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.6 p-80 -176.44 154.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.547 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 29' ' ' PRO . 4.1 mp -98.79 162.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -50.23 -55.34 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -57.11 -28.09 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.6 m-20 -78.74 -29.2 45.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.02 129.92 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -128.92 76.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -153.11 -60.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.29 95.12 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 126.49 9.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.18 137.17 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -93.42 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.98 12.19 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -46.64 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.14 -35.33 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.41 26.37 11.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -176.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.13 147.55 47.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.86 10.47 16.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.36 1.038 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -176.1 155.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.34 158.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -47.45 -52.26 17.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -58.85 -34.18 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.758 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.8 m-20 -74.8 -23.02 58.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.35 125.54 30.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.91 64.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 47' ' ' GLU . 1.6 pm0 -66.12 -27.22 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.21 31.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 132.73 15.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.0 135.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.2 t -91.6 115.23 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.74 15.1 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -108.18 -32.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.06 17.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.47 -176.05 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.31 143.52 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.8 8.3 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -176.36 154.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.689 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.89 160.73 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 10.9 tttm -49.32 -54.23 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -30.25 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.689 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.6 m-20 -78.75 -23.51 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -81.24 154.64 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 80.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.59 -19.19 64.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.78 -63.19 0.06 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.422 1.076 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo -74.88 130.68 13.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 13.3 p -97.95 136.59 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.7 t -93.59 112.97 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 33.7 m-85 -84.16 12.62 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -106.99 -44.62 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.25 -35.15 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.18 26.99 10.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 -176.28 3.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.51 147.74 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 8.0 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -176.22 155.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 0.774 . . . . 0.0 109.544 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.726 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.29 161.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -49.47 -53.87 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CD ' ' OD1' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -57.83 -30.1 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.726 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -80.9 -21.82 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.51 142.44 40.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.79 68.56 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.37 -33.1 32.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.259 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.94 159.45 13.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.614 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.05 129.94 12.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.18 135.27 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.8 t -91.3 114.74 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.3 14.4 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -44.8 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.27 -33.34 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.89 26.07 15.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -176.23 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.1 142.83 50.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.63 7.86 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -176.28 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.83 161.19 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -49.52 -54.52 17.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -57.56 -29.99 64.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.727 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.15 -23.63 43.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.97 137.59 36.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 44.32 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.18 -28.42 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 161.38 47.08 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.02 131.81 14.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.21 135.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.7 t -91.36 114.98 27.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.394 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 14.86 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -110.45 -44.19 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.86 -32.5 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.23 17.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -176.3 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.88 145.0 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.97 7.27 15.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -176.08 155.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.94 160.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 40' ' ' ILE . 6.3 tttp -49.14 -53.8 19.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -58.15 -30.63 66.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.714 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -78.7 -20.2 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.05 97.14 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.288 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -163.09 71.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -85.79 -60.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.54 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.615 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -74.96 129.42 12.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.09 135.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -91.76 114.96 27.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 108.264 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.7 15.07 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 p -108.03 -31.9 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 26.45 18.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.423 1.077 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -176.42 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 p -123.94 145.13 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.87 7.69 14.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -176.22 154.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.39 161.18 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 4.5 ttpt -49.5 -54.16 19.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -29.87 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.743 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.06 -20.71 48.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.28 111.89 17.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 67.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.208 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -89.78 -67.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.281 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.55 160.08 24.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.569 1.168 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.11 129.17 12.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.14 134.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.4 t -91.06 115.4 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.08 15.6 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 -43.19 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.97 -31.46 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.34 26.54 20.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -102.73 -175.99 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 p -123.53 147.42 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.29 5.68 20.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -176.27 154.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.53 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.69 160.61 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.98 -54.13 16.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.84 -30.81 66.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.742 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.47 -20.5 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -77.62 108.36 10.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.95 86.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -21.04 57.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.249 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.91 -169.07 18.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.0 Cg_endo -75.15 128.43 11.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.66 137.77 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.3 t -93.78 113.45 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.25 12.32 6.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -46.03 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -105.64 -34.57 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.39 26.62 11.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -102.69 -176.56 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.02 143.61 50.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.88 8.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.0 p-80 -176.19 154.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.03 162.05 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.5 pttm -50.41 -54.83 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -57.78 -28.04 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 9.8 m-20 -78.4 -28.45 46.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.07 108.83 13.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.285 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -171.74 80.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.96 -60.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.55 64.98 3.88 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -74.97 131.82 14.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.828 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.84 134.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.6 t -91.09 115.38 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.94 15.57 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -43.41 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 p -108.85 -31.48 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 108.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.54 26.33 20.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -101.92 -175.98 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -123.97 146.04 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.374 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.2 6.39 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -176.13 154.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.71 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.85 160.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -49.22 -54.06 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.1 ttt180 -57.9 -30.66 66.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.71 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.05 -20.69 48.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t -78.19 105.02 9.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.238 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.31 60.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -111.76 -60.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 pttt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.4 70.2 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.433 1.083 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -74.9 128.23 11.4 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.532 1.806 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.94 135.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -92.26 114.37 26.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -85.46 14.19 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 -43.9 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.09 -32.52 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.87 26.68 16.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -176.45 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.29 146.1 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.92 8.18 18.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -176.01 154.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.94 160.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.3 ttpp -49.02 -53.41 20.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 1.6 ptm180 -58.49 -31.13 67.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.7 m-20 -78.79 -17.56 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.8 79.07 9.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -169.95 55.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -160.59 -44.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.589 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.811 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p -94.0 135.92 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.52 113.95 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.43 13.11 5.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -45.94 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -105.96 -34.79 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.231 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.55 26.29 12.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 p -123.62 145.93 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.41 8.25 12.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -176.39 154.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.2 mp -98.29 160.71 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.0 tptt -49.51 -53.85 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.88 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.2 m-20 -78.49 -25.61 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.276 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.67 137.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -93.57 113.79 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 12.94 6.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.66 -45.67 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.24 -34.45 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.5 26.03 12.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -176.31 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 0.816 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 p -124.98 144.03 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.21 11.31 9.02 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 19.0 p-80 -176.35 154.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.718 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.97 162.21 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -50.12 -55.18 16.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.21 -28.56 62.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.687 ' OD2' HD12 ' A' ' 40' ' ' ILE . 8.1 m-20 -78.62 -28.6 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.61 138.12 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -94.38 113.52 25.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.35 12.52 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.04 -45.93 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 p -105.9 -34.36 7.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.37 26.31 12.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -176.05 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.14 143.73 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.19 8.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.3 p-80 -176.4 153.88 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.664 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.09 162.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 11.9 pttp -50.36 -55.44 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -27.8 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.664 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.2 m-20 -78.91 -28.91 43.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 108.247 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.935 -0.448 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.7 137.35 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -93.71 113.84 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.72 13.23 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 m -108.05 -44.97 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.95 -33.48 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.18 26.49 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -102.57 -176.21 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.96 11.03 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.603 1.19 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -176.36 153.98 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.685 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.43 162.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -50.29 -55.25 16.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.45 -27.78 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.685 ' OD2' HD12 ' A' ' 40' ' ' ILE . 5.0 m-20 -79.63 -28.26 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.3 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.92 137.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.5 t -94.11 112.79 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 108.395 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.19 10.72 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.68 -47.68 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.89 -36.54 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 26.01 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -176.25 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -124.45 146.09 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.04 11.55 9.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.142 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.8 p-80 -176.39 154.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.625 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.64 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.3 162.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 40' ' ' ILE . 21.8 pttt -50.24 -54.95 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -57.54 -28.19 63.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 40' ' ' ILE . 7.4 m-20 -78.34 -28.65 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 p -96.47 133.57 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.42 115.03 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 32' ' ' PHE . 26.4 t80 -85.83 15.24 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.4 t -110.86 -42.93 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -109.27 -32.47 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.48 26.77 16.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -102.73 -176.1 3.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -123.53 144.99 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.06 3.88 17.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -176.19 154.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.561 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.718 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -99.03 161.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 40' ' ' ILE . 1.6 tmtt? -49.25 -54.38 17.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.54 -30.38 65.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -81.27 -20.89 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 108.343 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.944 -0.444 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.99 136.96 26.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.0 t -93.79 112.77 24.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.34 11.22 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -46.85 4.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 p -104.7 -37.09 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 108.238 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.31 26.49 9.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 -175.83 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -124.36 148.92 47.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 11.55 12.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.5 p-80 -176.42 154.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.621 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.51 161.99 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.6 pttt -50.14 -55.03 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.42 -28.21 63.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.621 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.7 m-20 -78.33 -28.78 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.223 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -97.76 134.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.05 114.01 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.43 13.48 5.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -108.37 -45.16 3.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.958 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.06 -34.84 7.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.88 25.88 12.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -101.43 -176.1 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.79 144.35 49.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.77 7.19 15.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -176.23 155.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.607 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -101.0 160.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -48.0 -53.52 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.91 -32.87 68.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.249 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.655 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.71 135.59 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.67 114.22 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 108.374 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.58 13.71 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.69 -45.06 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -107.12 -34.65 7.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 108.368 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -175.79 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.55 142.88 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.23 8.82 10.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -176.37 154.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.732 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -100.53 160.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.51 -54.39 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 ptt180 -57.08 -31.89 65.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.732 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.9 m-20 -77.73 -26.09 49.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.619 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.58 137.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 48.9 t -93.54 113.71 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.28 11.4 6.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.3 m -105.64 -47.41 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.4 p -104.47 -36.61 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.19 24.43 11.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -175.94 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -124.52 144.43 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.07 10.91 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.6 p-80 -176.44 154.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.547 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 29' ' ' PRO . 4.1 mp -98.79 162.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -50.23 -55.34 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -57.11 -28.09 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.6 m-20 -78.74 -29.2 45.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.18 137.17 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -93.42 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.98 12.19 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -46.64 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.14 -35.33 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.41 26.37 11.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -176.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.13 147.55 47.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.86 10.47 16.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.36 1.038 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -176.1 155.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.34 158.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -47.45 -52.26 17.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -58.85 -34.18 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.758 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.8 m-20 -74.8 -23.02 58.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 108.317 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.0 135.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.2 t -91.6 115.23 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.74 15.1 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -108.18 -32.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.06 17.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.47 -176.05 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.31 143.52 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.8 8.3 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -176.36 154.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.689 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.89 160.73 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 10.9 tttm -49.32 -54.23 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -30.25 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.689 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.6 m-20 -78.75 -23.51 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 13.3 p -97.95 136.59 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.7 t -93.59 112.97 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 33.7 m-85 -84.16 12.62 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -106.99 -44.62 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.25 -35.15 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.18 26.99 10.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 -176.28 3.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.51 147.74 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 8.0 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -176.22 155.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 0.774 . . . . 0.0 109.544 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.726 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.29 161.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -49.47 -53.87 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CD ' ' OD1' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -57.83 -30.1 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.726 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -80.9 -21.82 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.614 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.18 135.27 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.8 t -91.3 114.74 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.3 14.4 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -44.8 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.27 -33.34 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.89 26.07 15.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -176.23 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.1 142.83 50.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.63 7.86 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -176.28 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.83 161.19 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -49.52 -54.52 17.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -57.56 -29.99 64.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.727 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.15 -23.63 43.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.21 135.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.7 t -91.36 114.98 27.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.394 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 14.86 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -110.45 -44.19 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.86 -32.5 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.23 17.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -176.3 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.88 145.0 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.97 7.27 15.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -176.08 155.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.94 160.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 40' ' ' ILE . 6.3 tttp -49.14 -53.8 19.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -58.15 -30.63 66.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.714 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -78.7 -20.2 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.288 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.615 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.09 135.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -91.76 114.96 27.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 108.264 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.7 15.07 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 p -108.03 -31.9 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 26.45 18.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.423 1.077 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -176.42 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 p -123.94 145.13 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.87 7.69 14.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -176.22 154.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.39 161.18 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 4.5 ttpt -49.5 -54.16 19.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -29.87 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.743 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.06 -20.71 48.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.291 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.14 134.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.4 t -91.06 115.4 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.08 15.6 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 -43.19 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.97 -31.46 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.34 26.54 20.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -102.73 -175.99 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 p -123.53 147.42 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.29 5.68 20.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -176.27 154.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.53 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.69 160.61 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.98 -54.13 16.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.84 -30.81 66.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.742 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.47 -20.5 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.323 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.66 137.77 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.3 t -93.78 113.45 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.25 12.32 6.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -46.03 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -105.64 -34.57 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.39 26.62 11.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -102.69 -176.56 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.02 143.61 50.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.88 8.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.0 p-80 -176.19 154.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.03 162.05 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.5 pttm -50.41 -54.83 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -57.78 -28.04 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 9.8 m-20 -78.4 -28.45 46.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.285 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.84 134.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.6 t -91.09 115.38 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.94 15.57 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -43.41 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 p -108.85 -31.48 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 108.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.54 26.33 20.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -101.92 -175.98 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -123.97 146.04 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.374 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.2 6.39 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -176.13 154.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.71 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.85 160.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -49.22 -54.06 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.1 ttt180 -57.9 -30.66 66.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.71 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.05 -20.69 48.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.238 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.069 -0.397 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.94 135.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -92.26 114.37 26.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -85.46 14.19 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 -43.9 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.09 -32.52 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.87 26.68 16.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -176.45 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.29 146.1 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.92 8.18 18.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -176.01 154.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.94 160.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.3 ttpp -49.02 -53.41 20.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 1.6 ptm180 -58.49 -31.13 67.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.7 m-20 -78.79 -17.56 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 108.281 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.51 -152.8 5.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.142 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.589 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -74.98 125.89 9.63 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 p -94.0 135.92 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -92.52 113.95 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.43 13.11 5.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -45.94 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -105.96 -34.79 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.231 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.55 26.29 12.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 p -123.62 145.93 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.41 8.25 12.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -176.39 154.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.2 mp -98.29 160.71 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.0 tptt -49.51 -53.85 21.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -29.88 66.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.2 m-20 -78.49 -25.61 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.98 125.88 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.27 63.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 2.1 pt-20 -76.94 -32.09 57.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 4.3 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.82 -75.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.1 131.21 13.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.67 137.64 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -93.57 113.79 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 12.94 6.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.66 -45.67 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.24 -34.45 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.5 26.03 12.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -176.31 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 0.816 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.9 p -124.98 144.03 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.21 11.31 9.02 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 19.0 p-80 -176.35 154.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.718 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.97 162.21 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -50.12 -55.18 16.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.21 -28.56 62.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.687 ' OD2' HD12 ' A' ' 40' ' ' ILE . 8.1 m-20 -78.62 -28.6 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -79.45 110.81 15.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 64.06 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -172.59 -46.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.66 -162.87 34.81 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.05 129.96 12.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.61 138.12 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.1 t -94.38 113.52 25.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.35 12.52 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.04 -45.93 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.959 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 p -105.9 -34.36 7.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.37 26.31 12.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -176.05 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.14 143.73 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.94 11.19 8.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.3 p-80 -176.4 153.88 1.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.664 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.09 162.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 40' ' ' ILE . 11.9 pttp -50.36 -55.44 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -27.8 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.664 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.2 m-20 -78.91 -28.91 43.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -79.49 122.61 26.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 108.247 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -98.88 82.3 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -157.04 -59.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.83 65.82 3.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.01 129.85 12.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -98.7 137.35 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -93.71 113.84 26.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.72 13.23 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 m -108.05 -44.97 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.053 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -106.95 -33.48 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.18 26.49 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -102.57 -176.21 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -125.26 143.4 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.96 11.03 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.603 1.19 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -176.36 153.98 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.685 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.43 162.36 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -50.29 -55.25 16.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.45 -27.78 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.685 ' OD2' HD12 ' A' ' 40' ' ' ILE . 5.0 m-20 -79.63 -28.26 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 t -78.87 67.3 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.04 63.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -32.6 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.12 -147.05 4.85 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.8 p -97.92 137.65 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.5 t -94.11 112.79 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.163 . . . . 0.0 108.395 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.19 10.72 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.68 -47.68 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.89 -36.54 7.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.85 26.01 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -176.25 3.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -124.45 146.09 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.04 11.55 9.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.142 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.8 p-80 -176.39 154.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.625 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.64 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.3 162.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 40' ' ' ILE . 21.8 pttt -50.24 -54.95 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -57.54 -28.19 63.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.64 ' OD2' HD12 ' A' ' 40' ' ' ILE . 7.4 m-20 -78.34 -28.65 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 t -80.04 106.3 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 63.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -65.36 -47.1 77.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 162.04 1.74 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.61 1.194 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.6 Cg_endo -74.97 133.13 16.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 p -96.47 133.57 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.42 115.03 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 32' ' ' PHE . 26.4 t80 -85.83 15.24 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.4 t -110.86 -42.93 3.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -109.27 -32.47 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.48 26.77 16.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -102.73 -176.1 3.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -123.53 144.99 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.06 3.88 17.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -176.19 154.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.561 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.718 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -99.03 161.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 40' ' ' ILE . 1.6 tmtt? -49.25 -54.38 17.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -57.54 -30.38 65.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.718 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -81.27 -20.89 39.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t -75.67 103.33 5.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -145.94 85.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -165.63 -60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LYS . . . -37.54 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 126.67 10.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.99 136.96 26.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.0 t -93.79 112.77 24.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.34 11.22 7.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.17 -46.85 4.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.04 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 p -104.7 -37.09 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 108.238 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.31 26.49 9.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.77 -175.83 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -124.36 148.92 47.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.71 11.55 12.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.5 p-80 -176.42 154.23 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.628 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.621 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.51 161.99 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.6 pttt -50.14 -55.03 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -57.42 -28.21 63.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.621 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.7 m-20 -78.33 -28.78 47.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.17 156.84 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.223 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 68.19 70.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -136.48 -46.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.43 -61.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.683 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo -74.98 133.62 16.84 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -97.76 134.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.05 114.01 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 108.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.43 13.48 5.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -108.37 -45.16 3.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.958 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.06 -34.84 7.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.291 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.88 25.88 12.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -101.43 -176.1 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.79 144.35 49.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.77 7.19 15.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -176.23 155.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.607 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -101.0 160.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -48.0 -53.52 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.91 -32.87 68.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 4.3 t -82.14 113.81 20.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.249 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 44' ' ' CYS . 42.0 mttt -159.18 65.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.7 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.6 92.67 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.17 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.655 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo -74.94 134.73 18.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 p -99.71 135.59 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -91.67 114.22 26.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 108.374 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.58 13.71 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.69 -45.06 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.0 p -107.12 -34.65 7.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 108.368 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.74 25.76 12.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -175.79 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.55 142.88 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.23 8.82 10.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -176.37 154.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.606 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.732 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -100.53 160.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.51 -54.39 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.1 ptt180 -57.08 -31.89 65.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.732 ' OD2' HD12 ' A' ' 40' ' ' ILE . 3.9 m-20 -77.73 -26.09 49.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.4 t -79.16 75.71 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmt? -87.34 70.66 10.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.68 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.58 158.96 8.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.619 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.03 136.74 20.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.58 137.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 48.9 t -93.54 113.71 25.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.28 11.4 6.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.3 m -105.64 -47.41 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.4 p -104.47 -36.61 7.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.19 24.43 11.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -175.94 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 p -124.52 144.43 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.07 10.91 8.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 17.6 p-80 -176.44 154.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.547 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 29' ' ' PRO . 4.1 mp -98.79 162.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -50.23 -55.34 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -57.11 -28.09 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' OD2' HD12 ' A' ' 40' ' ' ILE . 6.6 m-20 -78.74 -29.2 45.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.02 129.92 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -128.92 76.01 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -153.11 -60.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.29 95.12 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.581 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 126.49 9.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.18 137.17 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -93.42 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.98 12.19 6.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -46.64 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 p -105.14 -35.33 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.41 26.37 11.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.584 1.178 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -176.28 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.13 147.55 47.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.86 10.47 16.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.36 1.038 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -176.1 155.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.34 158.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HG3' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -47.45 -52.26 17.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -58.85 -34.18 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.758 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.8 m-20 -74.8 -23.02 58.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.35 125.54 30.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 108.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.91 64.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 47' ' ' GLU . 1.6 pm0 -66.12 -27.22 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.21 31.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.633 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.03 132.73 15.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -98.0 135.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.2 t -91.6 115.23 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.74 15.1 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -108.18 -32.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.06 17.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.47 -176.05 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.31 143.52 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.8 8.3 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -176.36 154.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.689 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.89 160.73 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 10.9 tttm -49.32 -54.23 18.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -30.25 65.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.689 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.6 m-20 -78.75 -23.51 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -81.24 154.64 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 80.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.59 -19.19 64.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.78 -63.19 0.06 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.422 1.076 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo -74.88 130.68 13.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 13.3 p -97.95 136.59 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.7 t -93.59 112.97 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 33.7 m-85 -84.16 12.62 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -106.99 -44.62 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -107.25 -35.15 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.18 26.99 10.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 -176.28 3.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.51 147.74 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 8.0 21.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -176.22 155.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 0.774 . . . . 0.0 109.544 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.726 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.4 mp -100.29 161.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -49.47 -53.87 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CD ' ' OD1' ' A' ' 43' ' ' ASP . 0.7 OUTLIER -57.83 -30.1 65.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.726 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.6 m-20 -80.9 -21.82 40.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.51 142.44 40.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.312 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.79 68.56 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.37 -33.1 32.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.259 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.94 159.45 13.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.614 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -75.05 129.94 12.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.18 135.27 30.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.8 t -91.3 114.74 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 108.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.3 14.4 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -44.8 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.27 -33.34 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.89 26.07 15.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -176.23 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 p -124.1 142.83 50.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.378 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.63 7.86 10.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -176.28 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.83 161.19 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -49.52 -54.52 17.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -57.56 -29.99 64.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.727 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.15 -23.63 43.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.97 137.59 36.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 44.32 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.18 -28.42 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.2 161.38 47.08 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.643 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -75.02 131.81 14.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.21 135.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.7 t -91.36 114.98 27.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.394 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 14.86 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -110.45 -44.19 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -107.86 -32.5 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.23 17.73 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -176.3 3.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -123.88 145.0 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.97 7.27 15.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -176.08 155.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.94 160.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 40' ' ' ILE . 6.3 tttp -49.14 -53.8 19.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -58.15 -30.63 66.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.714 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -78.7 -20.2 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 t -80.05 97.14 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.288 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -163.09 71.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -85.79 -60.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.54 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.569 1.168 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.615 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -74.96 129.42 12.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.09 135.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -91.76 114.96 27.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 108.264 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.7 15.07 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.72 -43.99 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 p -108.03 -31.9 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 108.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 26.45 18.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.423 1.077 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -176.42 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 p -123.94 145.13 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.87 7.69 14.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -176.22 154.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.39 161.18 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 40' ' ' ILE . 4.5 ttpt -49.5 -54.16 19.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -29.87 65.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.743 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.5 m-20 -79.06 -20.71 48.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.28 111.89 17.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 67.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.208 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -89.78 -67.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.281 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.55 160.08 24.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.569 1.168 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.11 129.17 12.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.14 134.39 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.4 t -91.06 115.4 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.282 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -86.08 15.6 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 -43.19 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.97 -31.46 7.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.34 26.54 20.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -102.73 -175.99 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 p -123.53 147.42 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.29 5.68 20.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -176.27 154.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.53 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.69 160.61 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.98 -54.13 16.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.84 -30.81 66.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.742 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.47 -20.5 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.1 t -77.62 108.36 10.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.95 86.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -21.04 57.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.249 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.91 -169.07 18.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.0 Cg_endo -75.15 128.43 11.36 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.66 137.77 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.3 t -93.78 113.45 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.25 12.32 6.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -46.03 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -105.64 -34.57 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.39 26.62 11.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -102.69 -176.56 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -125.02 143.61 50.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.453 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.7 11.88 8.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 18.0 p-80 -176.19 154.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.72 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.03 162.05 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 40' ' ' ILE . 14.5 pttm -50.41 -54.83 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -57.78 -28.04 63.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.72 ' OD2' HD12 ' A' ' 40' ' ' ILE . 9.8 m-20 -78.4 -28.45 46.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 t -80.07 108.83 13.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.285 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -171.74 80.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.96 -60.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.55 64.98 3.88 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.547 1.154 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.5 Cg_endo -74.97 131.82 14.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.828 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 p -96.84 134.88 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.6 t -91.09 115.38 27.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.94 15.57 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -43.41 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 p -108.85 -31.48 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 108.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.54 26.33 20.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -101.92 -175.98 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 p -123.97 146.04 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 110.374 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.2 6.39 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -176.13 154.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.71 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.5 mp -98.85 160.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -49.22 -54.06 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.1 ttt180 -57.9 -30.66 66.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.71 ' OD2' HD12 ' A' ' 40' ' ' ILE . 2.0 m-20 -79.05 -20.69 48.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 t -78.19 105.02 9.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 108.238 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.31 60.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -111.76 -60.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 pttt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.4 70.2 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.433 1.083 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HB3' HD11 ' A' ' 40' ' ' ILE . 18.3 Cg_endo -74.9 128.23 11.4 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.532 1.806 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.94 135.92 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -92.26 114.37 26.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -85.46 14.19 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 -43.9 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.09 -32.52 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.87 26.68 16.04 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 -176.45 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 p -124.29 146.1 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.92 8.18 18.33 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -176.01 154.65 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' OD2' ' A' ' 43' ' ' ASP . 3.3 mp -98.94 160.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.3 ttpp -49.02 -53.41 20.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 1.6 ptm180 -58.49 -31.13 67.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.756 ' OD2' HD12 ' A' ' 40' ' ' ILE . 1.7 m-20 -78.79 -17.56 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.8 79.07 9.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -169.95 55.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -160.59 -44.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_